[2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine

C17H26N2O — CID 64745498

IUPAC[2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
SMILESCC1CCC(Oc2nc3c(cc2CN)CCC3)CC1C
InChIInChI=1S/C17H26N2O/c1-11-6-7-15(8-12(11)2)20-17-14(10-18)9-13-4-3-5-16(13)19-17/h9,11-12,15H,3-8,10,18H2,1-2H3
InChIKeyZADRLFKHEPBFJK-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.23
Rot. Bonds3

About [2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine

[2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine (PubChem CID 64745498) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
PubChem CID64745498
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
SMILESCC1CCC(Oc2nc3c(cc2CN)CCC3)CC1C
InChIInChI=1S/C17H26N2O/c1-11-6-7-15(8-12(11)2)20-17-14(10-18)9-13-4-3-5-16(13)19-17/h9,11-12,15H,3-8,10,18H2,1-2H3
InChIKeyZADRLFKHEPBFJK-UHFFFAOYSA-N
XLogP3.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
The IUPAC name of [2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine (CID 64745498) is [2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
The canonical SMILES for [2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine is CC1CCC(Oc2nc3c(cc2CN)CCC3)CC1C.
What is the InChIKey of [2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
The InChIKey is ZADRLFKHEPBFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11-6-7-15(8-12(11)2)20-17-14(10-18)9-13-4-3-5-16(13)19-17/h9,11-12,15H,3-8,10,18H2,1-2H3.
What are the key properties of [2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
[2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine is sourced from PubChem (CID 64745498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).