1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine

C19H36N2 — CID 79057711

IUPAC1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
SMILESCNC(C1CCC(C)C(C)C1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C19H36N2/c1-15-8-9-17(14-16(15)2)18(20-3)19(10-4-5-11-19)21-12-6-7-13-21/h15-18,20H,4-14H2,1-3H3
InChIKeyRVAZCEVEVUQPAU-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.06
Rot. Bonds4

About 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine

1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine (PubChem CID 79057711) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
PubChem CID79057711
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
SMILESCNC(C1CCC(C)C(C)C1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C19H36N2/c1-15-8-9-17(14-16(15)2)18(20-3)19(10-4-5-11-19)21-12-6-7-13-21/h15-18,20H,4-14H2,1-3H3
InChIKeyRVAZCEVEVUQPAU-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine 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 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine (CID 79057711) is 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine is CNC(C1CCC(C)C(C)C1)C1(N2CCCC2)CCCC1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The InChIKey is RVAZCEVEVUQPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-15-8-9-17(14-16(15)2)18(20-3)19(10-4-5-11-19)21-12-6-7-13-21/h15-18,20H,4-14H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine has a molecular weight of 292.51 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine is sourced from PubChem (CID 79057711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).