2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine

C19H36N2 — CID 115561892

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1CN1CC2CCCC2C1
InChIInChI=1S/C19H36N2/c1-3-10-20-19-9-8-15(4-2)11-18(19)14-21-12-16-6-5-7-17(16)13-21/h15-20H,3-14H2,1-2H3
InChIKeyGZLMJKLCDYGELO-UHFFFAOYSA-N
MW292.51 g/mol
LogP3.91
Rot. Bonds6

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine (PubChem CID 115561892) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
PubChem CID115561892
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1CN1CC2CCCC2C1
InChIInChI=1S/C19H36N2/c1-3-10-20-19-9-8-15(4-2)11-18(19)14-21-12-16-6-5-7-17(16)13-21/h15-20H,3-14H2,1-2H3
InChIKeyGZLMJKLCDYGELO-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62610497
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine
CID 113335831
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 115561997
1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
CID 62614801
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine
CID 113336166
2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 63403718
4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine
CID 62614642
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 115561967
4-ethyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63483081
1-(cyclopropylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991199
N,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63636012
N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine
CID 55094286

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine (CID 115561892) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine is CCCNC1CCC(CC)CC1CN1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine?
The InChIKey is GZLMJKLCDYGELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-3-10-20-19-9-8-15(4-2)11-18(19)14-21-12-16-6-5-7-17(16)13-21/h15-20H,3-14H2,1-2H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 115561892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).