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142892-37-3 molecular structure
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[(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol

ChemBase ID: 290167
Molecular Formular: C9H17NO
Molecular Mass: 155.23738
Monoisotopic Mass: 155.13101417
SMILES and InChIs

SMILES:
OC[C@H]1C[C@H]2N(C)[C@H](CC2)C1
Canonical SMILES:
OC[C@@H]1C[C@H]2CC[C@@H](C1)N2C
InChI:
InChI=1S/C9H17NO/c1-10-8-2-3-9(10)5-7(4-8)6-11/h7-9,11H,2-6H2,1H3/t7-,8+,9-
InChIKey:
BIGDJAVQKHVADY-AYMMMOKOSA-N

Cite this record

CBID:290167 http://www.chembase.cn/molecule-290167.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
IUPAC Traditional name
[(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
Synonyms
endo-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CAS Number
142892-37-3
PubChem SID
180675698
PubChem CID
66570658

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD228468 Please log in.
Data Source Data ID
PubChem 66570658 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.466187  H Acceptors
H Donor LogD (pH = 5.5) -2.9422095 
LogD (pH = 7.4) -1.8680434  Log P 0.49416143 
Molar Refractivity 45.4118 cm3 Polarizability 17.993933 Å3
Polar Surface Area 23.47 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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