3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine

C16H32N2 — CID 79642486

IUPAC3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine
SMILESCCCNC1CCC(N(C)C2CCCCC2C)C1
InChIInChI=1S/C16H32N2/c1-4-11-17-14-9-10-15(12-14)18(3)16-8-6-5-7-13(16)2/h13-17H,4-12H2,1-3H3
InChIKeyLBZUUKYGBXPORE-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds5

About 3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine

3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine (PubChem CID 79642486) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine
PubChem CID79642486
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine
SMILESCCCNC1CCC(N(C)C2CCCCC2C)C1
InChIInChI=1S/C16H32N2/c1-4-11-17-14-9-10-15(12-14)18(3)16-8-6-5-7-13(16)2/h13-17H,4-12H2,1-3H3
InChIKeyLBZUUKYGBXPORE-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine 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

3-N-cyclopropyl-3-N-methyl-1-N-propylcyclopentane-1,3-diamine
CID 79643528
3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine
CID 79642701
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
2-N,3,5-trimethyl-2-N-(2-methylcyclohexyl)-1-N-propylcyclohexane-1,2-diamine
CID 64750765
3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine
CID 79643635
3-N-cyclopentyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79644118
4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 79123181
3-N-cyclohexyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79642460
N'-methyl-N'-(2-methylcyclohexyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63502047
1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine
CID 79630573
4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 79123260
3-N-(2-ethoxyethyl)-3-N-methyl-1-N-propylcyclopentane-1,3-diamine
CID 81059535

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine (CID 79642486) is 3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine is CCCNC1CCC(N(C)C2CCCCC2C)C1.
What is the InChIKey of 3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine?
The InChIKey is LBZUUKYGBXPORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-11-17-14-9-10-15(12-14)18(3)16-8-6-5-7-13(16)2/h13-17H,4-12H2,1-3H3.
What are the key properties of 3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine?
3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine is sourced from PubChem (CID 79642486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).