1-N-(3,3,5,5-tetramethylcyclohexyl)cyclohexane-1,3-diamine

C16H32N2 — CID 113359563

IUPAC1-N-(3,3,5,5-tetramethylcyclohexyl)cyclohexane-1,3-diamine
SMILESCC1(C)CC(NC2CCCC(N)C2)CC(C)(C)C1
InChIInChI=1S/C16H32N2/c1-15(2)9-14(10-16(3,4)11-15)18-13-7-5-6-12(17)8-13/h12-14,18H,5-11,17H2,1-4H3
InChIKeyAMNJQEWEPCJGFL-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.45
Rot. Bonds2

About 1-N-(3,3,5,5-tetramethylcyclohexyl)cyclohexane-1,3-diamine

1-N-(3,3,5,5-tetramethylcyclohexyl)cyclohexane-1,3-diamine (PubChem CID 113359563) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-N-(3,3,5,5-tetramethylcyclohexyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3,3,5,5-tetramethylcyclohexyl)cyclohexane-1,3-diamine
PubChem CID113359563
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-N-(3,3,5,5-tetramethylcyclohexyl)cyclohexane-1,3-diamine
SMILESCC1(C)CC(NC2CCCC(N)C2)CC(C)(C)C1
InChIInChI=1S/C16H32N2/c1-15(2)9-14(10-16(3,4)11-15)18-13-7-5-6-12(17)8-13/h12-14,18H,5-11,17H2,1-4H3
InChIKeyAMNJQEWEPCJGFL-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-(3,3,5,5-tetramethylcyclohexyl)cyclohexane-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 1-N-(3,3,5,5-tetramethylcyclohexyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(3,3,5,5-tetramethylcyclohexyl)cyclohexane-1,3-diamine (CID 113359563) is 1-N-(3,3,5,5-tetramethylcyclohexyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(3,3,5,5-tetramethylcyclohexyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(3,3,5,5-tetramethylcyclohexyl)cyclohexane-1,3-diamine is CC1(C)CC(NC2CCCC(N)C2)CC(C)(C)C1.
What is the InChIKey of 1-N-(3,3,5,5-tetramethylcyclohexyl)cyclohexane-1,3-diamine?
The InChIKey is AMNJQEWEPCJGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-15(2)9-14(10-16(3,4)11-15)18-13-7-5-6-12(17)8-13/h12-14,18H,5-11,17H2,1-4H3.
What are the key properties of 1-N-(3,3,5,5-tetramethylcyclohexyl)cyclohexane-1,3-diamine?
1-N-(3,3,5,5-tetramethylcyclohexyl)cyclohexane-1,3-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,3,5,5-tetramethylcyclohexyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 113359563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).