[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine

C17H32N2 — CID 65319468

IUPAC[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine
SMILESCC1CCCC(CN)(N2CCCC3CCCC32)C1C
InChIInChI=1S/C17H32N2/c1-13-6-4-10-17(12-18,14(13)2)19-11-5-8-15-7-3-9-16(15)19/h13-16H,3-12,18H2,1-2H3
InChIKeyIZFPMWWMYSBTPP-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.40
Rot. Bonds2

About [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine

[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine (PubChem CID 65319468) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine
PubChem CID65319468
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine
SMILESCC1CCCC(CN)(N2CCCC3CCCC32)C1C
InChIInChI=1S/C17H32N2/c1-13-6-4-10-17(12-18,14(13)2)19-11-5-8-15-7-3-9-16(15)19/h13-16H,3-12,18H2,1-2H3
InChIKeyIZFPMWWMYSBTPP-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine (CID 65319468) is [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine is CC1CCCC(CN)(N2CCCC3CCCC32)C1C.
What is the InChIKey of [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine?
The InChIKey is IZFPMWWMYSBTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-13-6-4-10-17(12-18,14(13)2)19-11-5-8-15-7-3-9-16(15)19/h13-16H,3-12,18H2,1-2H3.
What are the key properties of [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine?
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine has a molecular weight of 264.46 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 65319468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).