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

C16H24N2 — CID 114016660

IUPAC[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine
SMILESCc1ccc(N2CCCC3CCCC32)c(CN)c1
InChIInChI=1S/C16H24N2/c1-12-7-8-16(14(10-12)11-17)18-9-3-5-13-4-2-6-15(13)18/h7-8,10,13,15H,2-6,9,11,17H2,1H3
InChIKeyKFUJTAGOCNSPGR-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.22
Rot. Bonds2

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

[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine (PubChem CID 114016660) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine
PubChem CID114016660
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine
SMILESCc1ccc(N2CCCC3CCCC32)c(CN)c1
InChIInChI=1S/C16H24N2/c1-12-7-8-16(14(10-12)11-17)18-9-3-5-13-4-2-6-15(13)18/h7-8,10,13,15H,2-6,9,11,17H2,1H3
InChIKeyKFUJTAGOCNSPGR-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine?
The IUPAC name of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine (CID 114016660) is [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine.
What is the SMILES notation for [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine?
The canonical SMILES for [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine is Cc1ccc(N2CCCC3CCCC32)c(CN)c1.
What is the InChIKey of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine?
The InChIKey is KFUJTAGOCNSPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-7-8-16(14(10-12)11-17)18-9-3-5-13-4-2-6-15(13)18/h7-8,10,13,15H,2-6,9,11,17H2,1H3.
What are the key properties of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine?
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine has a molecular weight of 244.38 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine is sourced from PubChem (CID 114016660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).