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3-[(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-ylmethyl]pyridin-2-amine
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ChemBase ID:
320530
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Molecular Formular:
C15H21N3
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Molecular Mass:
243.34734
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Monoisotopic Mass:
243.17354769
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SMILES and InChIs
SMILES:
N1(Cc2c(nccc2)N)C[C@@H]2[C@@H]([C@H]3C[C@@H]2CC3)C1
Canonical SMILES:
Nc1ncccc1CN1C[C@@H]2[C@H](C1)[C@H]1C[C@@H]2CC1
InChI:
InChI=1S/C15H21N3/c16-15-12(2-1-5-17-15)7-18-8-13-10-3-4-11(6-10)14(13)9-18/h1-2,5,10-11,13-14H,3-4,6-9H2,(H2,16,17)/t10-,11+,13-,14+
InChIKey:
QEIYPNSSOGCZGC-WVKUQDAKSA-N
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Cite this record
CBID:320530 http://www.chembase.cn/molecule-320530.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-[(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-ylmethyl]pyridin-2-amine
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IUPAC Traditional name
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3-[(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-ylmethyl]pyridin-2-amine
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Synonyms
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3-[(1R*,2R*,6S*,7S*)-4-azatricyclo[5.2.1.0~2,6~]dec-4-ylmethyl]-2-pyridinamine
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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-1.7474602
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LogD (pH = 7.4)
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-0.44523153
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Log P
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1.6894
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Molar Refractivity
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74.0357 cm3
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Polarizability
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28.33044 Å3
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Polar Surface Area
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42.15 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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H Acceptors
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2
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H Donor
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1
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Log P
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1.99
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LOG S
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-1.67
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Polar Surface Area
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42.15 Å2
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Rotatable Bonds
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2
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent