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87571-88-8 molecular structure
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(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

ChemBase ID: 287210
Molecular Formular: C8H16N2
Molecular Mass: 140.22604
Monoisotopic Mass: 140.13134852
SMILES and InChIs

SMILES:
N[C@@H]1C[C@@H]2N(C)[C@@H](CC2)C1
Canonical SMILES:
N[C@@H]1C[C@H]2CC[C@@H](C1)N2C
InChI:
InChI=1S/C8H16N2/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3/t6-,7+,8-
InChIKey:
HJGMRAKQWLKWMH-RNLVFQAGSA-N

Cite this record

CBID:287210 http://www.chembase.cn/molecule-287210.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
IUPAC Traditional name
(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
Synonyms
endo-8-Methyl-8-azabicyclo[3.2.1]octan-3-amine
CAS Number
87571-88-8
MDL Number
MFCD00215843
PubChem SID
180672741
PubChem CID
736442

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD127266 Please log in.
Data Source Data ID
PubChem 736442 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.2339015  LogD (pH = 7.4) -4.3132205 
Log P -0.073321134  Molar Refractivity 42.2513 cm3
Polarizability 17.072641 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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