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

C16H30N2 — CID 113335646

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(N2CC3CCCC3C2)C1
InChIInChI=1S/C16H30N2/c1-3-12-7-8-15(17-2)16(9-12)18-10-13-5-4-6-14(13)11-18/h12-17H,3-11H2,1-2H3
InChIKeyQMTSEVNTELLVTK-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.88
Rot. Bonds3

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

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-1-amine (PubChem CID 113335646) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-1-amine
PubChem CID113335646
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(N2CC3CCCC3C2)C1
InChIInChI=1S/C16H30N2/c1-3-12-7-8-15(17-2)16(9-12)18-10-13-5-4-6-14(13)11-18/h12-17H,3-11H2,1-2H3
InChIKeyQMTSEVNTELLVTK-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-1-amine (CID 113335646) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-1-amine is CCC1CCC(NC)C(N2CC3CCCC3C2)C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is QMTSEVNTELLVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-3-12-7-8-15(17-2)16(9-12)18-10-13-5-4-6-14(13)11-18/h12-17H,3-11H2,1-2H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-1-amine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 2.88, 3 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-yl)-4-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 113335646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).