2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridin-3-ylmethanol

C11H21NO — CID 83915115

IUPAC2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridin-3-ylmethanol
SMILESOCC1CNC2CCCCCC2C1
InChIInChI=1S/C11H21NO/c13-8-9-6-10-4-2-1-3-5-11(10)12-7-9/h9-13H,1-8H2
InChIKeyXRRMSPDOVVNNTI-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.54
Rot. Bonds1

About 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridin-3-ylmethanol

2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridin-3-ylmethanol (PubChem CID 83915115) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridin-3-ylmethanol.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridin-3-ylmethanol
PubChem CID83915115
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridin-3-ylmethanol
SMILESOCC1CNC2CCCCCC2C1
InChIInChI=1S/C11H21NO/c13-8-9-6-10-4-2-1-3-5-11(10)12-7-9/h9-13H,1-8H2
InChIKeyXRRMSPDOVVNNTI-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(5-cyclohexylpiperidin-3-yl)methanol
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2-cyclohexylaziridine
CID 14342017
cyclotetradecylmethanol
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[(3S,4aR,6S,8aS)-6-[(4-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol
CID 57266090
2-cycloheptyl-5-methoxypiperidine
CID 105465440
ethyl (4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate
CID 117272825
[(3S,5R)-5-methylpyrrolidin-3-yl]methanol
CID 68712143
(1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-ol
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CID 176573331
[(2R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridin-3-ylmethanol?
The IUPAC name of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridin-3-ylmethanol (CID 83915115) is 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridin-3-ylmethanol.
What is the SMILES notation for 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridin-3-ylmethanol?
The canonical SMILES for 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridin-3-ylmethanol is OCC1CNC2CCCCCC2C1.
What is the InChIKey of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridin-3-ylmethanol?
The InChIKey is XRRMSPDOVVNNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c13-8-9-6-10-4-2-1-3-5-11(10)12-7-9/h9-13H,1-8H2.
What are the key properties of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridin-3-ylmethanol?
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridin-3-ylmethanol has a molecular weight of 183.29 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridin-3-ylmethanol is sourced from PubChem (CID 83915115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).