5-cyclohexyl-4,5-dimethylcyclohexane-1,3-diamine

C14H28N2 — CID 175482269

IUPAC5-cyclohexyl-4,5-dimethylcyclohexane-1,3-diamine
SMILESCC1C(N)CC(N)CC1(C)C1CCCCC1
InChIInChI=1S/C14H28N2/c1-10-13(16)8-12(15)9-14(10,2)11-6-4-3-5-7-11/h10-13H,3-9,15-16H2,1-2H3
InChIKeyXLXRKEMOMWHBSU-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds1

About 5-cyclohexyl-4,5-dimethylcyclohexane-1,3-diamine

5-cyclohexyl-4,5-dimethylcyclohexane-1,3-diamine (PubChem CID 175482269) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 5-cyclohexyl-4,5-dimethylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name5-cyclohexyl-4,5-dimethylcyclohexane-1,3-diamine
PubChem CID175482269
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name5-cyclohexyl-4,5-dimethylcyclohexane-1,3-diamine
SMILESCC1C(N)CC(N)CC1(C)C1CCCCC1
InChIInChI=1S/C14H28N2/c1-10-13(16)8-12(15)9-14(10,2)11-6-4-3-5-7-11/h10-13H,3-9,15-16H2,1-2H3
InChIKeyXLXRKEMOMWHBSU-UHFFFAOYSA-N
XLogP2.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-cyclohexyl-4,5-dimethylcyclohexane-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

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4,5-dimethylcyclohexane-1,3-diamine?
The IUPAC name of 5-cyclohexyl-4,5-dimethylcyclohexane-1,3-diamine (CID 175482269) is 5-cyclohexyl-4,5-dimethylcyclohexane-1,3-diamine.
What is the SMILES notation for 5-cyclohexyl-4,5-dimethylcyclohexane-1,3-diamine?
The canonical SMILES for 5-cyclohexyl-4,5-dimethylcyclohexane-1,3-diamine is CC1C(N)CC(N)CC1(C)C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-4,5-dimethylcyclohexane-1,3-diamine?
The InChIKey is XLXRKEMOMWHBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-10-13(16)8-12(15)9-14(10,2)11-6-4-3-5-7-11/h10-13H,3-9,15-16H2,1-2H3.
What are the key properties of 5-cyclohexyl-4,5-dimethylcyclohexane-1,3-diamine?
5-cyclohexyl-4,5-dimethylcyclohexane-1,3-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4,5-dimethylcyclohexane-1,3-diamine is sourced from PubChem (CID 175482269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).