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(3S)-N,N-dimethyl-1-(quinoxalin-2-yl)azepan-3-amine

ChemBase ID: 470425
Molecular Formular: C16H22N4
Molecular Mass: 270.37268
Monoisotopic Mass: 270.18444672
SMILES and InChIs

SMILES:
N1(c2nc3c(nc2)cccc3)C[C@@H](N(C)C)CCCC1
Canonical SMILES:
CN([C@H]1CCCCN(C1)c1cnc2c(n1)cccc2)C
InChI:
InChI=1S/C16H22N4/c1-19(2)13-7-5-6-10-20(12-13)16-11-17-14-8-3-4-9-15(14)18-16/h3-4,8-9,11,13H,5-7,10,12H2,1-2H3/t13-/m0/s1
InChIKey:
USASXJCWUFMGJC-ZDUSSCGKSA-N

Cite this record

CBID:470425 http://www.chembase.cn/molecule-470425.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S)-N,N-dimethyl-1-(quinoxalin-2-yl)azepan-3-amine
IUPAC Traditional name
(3S)-N,N-dimethyl-1-(quinoxalin-2-yl)azepan-3-amine
Synonyms
(3S)-N,N-dimethyl-1-quinoxalin-2-ylazepan-3-amine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 33952502 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
LogD (pH = 5.5) -0.38138098  LogD (pH = 7.4) 1.0719525 
Log P 2.9303575  Molar Refractivity 82.0238 cm3
Polarizability 32.769905 Å3 Polar Surface Area 32.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.52  LOG S -1.46 
Polar Surface Area 32.26 Å2 Rotatable Bonds
H Acceptors H Donor

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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