1,2-di(hexan-3-yl)cyclohexane-1,2-diamine

C18H38N2 — CID 141199868

IUPAC1,2-di(hexan-3-yl)cyclohexane-1,2-diamine
SMILESCCCC(CC)C1(N)CCCCC1(N)C(CC)CCC
InChIInChI=1S/C18H38N2/c1-5-11-15(7-3)17(19)13-9-10-14-18(17,20)16(8-4)12-6-2/h15-16H,5-14,19-20H2,1-4H3
InChIKeyDSKOZTJXRIKVRE-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.61
Rot. Bonds8

About 1,2-di(hexan-3-yl)cyclohexane-1,2-diamine

1,2-di(hexan-3-yl)cyclohexane-1,2-diamine (PubChem CID 141199868) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1,2-di(hexan-3-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1,2-di(hexan-3-yl)cyclohexane-1,2-diamine
PubChem CID141199868
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1,2-di(hexan-3-yl)cyclohexane-1,2-diamine
SMILESCCCC(CC)C1(N)CCCCC1(N)C(CC)CCC
InChIInChI=1S/C18H38N2/c1-5-11-15(7-3)17(19)13-9-10-14-18(17,20)16(8-4)12-6-2/h15-16H,5-14,19-20H2,1-4H3
InChIKeyDSKOZTJXRIKVRE-UHFFFAOYSA-N
XLogP4.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2-di(hexan-3-yl)cyclohexane-1,2-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

Dimethylcyclohexane-1,2-diamine
CID 15141090
trans-(1R,2R)-1,2-dimethylcyclohexane-1,2-diamine
CID 15141091
trans-(1S,2S)-1,2-dimethylcyclohexane-1,2-diamine
CID 15141092
Tetrahexylethylene diamine
CID 129761163
1,2-Dimethylcyclohexan-1-amine
CID 3021679
1,2-Dimethylcyclohexane-1,2-diamine;hydrochloride
CID 17842546
1,2-Dibutylcyclohexane-1,2-diamine
CID 17927769
1,2-Dibutylcyclohexan-1-amine
CID 18400257
1,2,2-Tributylcyclohexan-1-amine
CID 18781511
1,2-Dipropylcyclohexan-1-amine
CID 19366541
2,3-Dicyclohexylbutane-2,3-diamine
CID 20257733
1,2,3-Trimethylcyclohexane-1,2-diamine
CID 20321316

Frequently Asked Questions

What is the IUPAC name of 1,2-di(hexan-3-yl)cyclohexane-1,2-diamine?
The IUPAC name of 1,2-di(hexan-3-yl)cyclohexane-1,2-diamine (CID 141199868) is 1,2-di(hexan-3-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1,2-di(hexan-3-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 1,2-di(hexan-3-yl)cyclohexane-1,2-diamine is CCCC(CC)C1(N)CCCCC1(N)C(CC)CCC.
What is the InChIKey of 1,2-di(hexan-3-yl)cyclohexane-1,2-diamine?
The InChIKey is DSKOZTJXRIKVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-11-15(7-3)17(19)13-9-10-14-18(17,20)16(8-4)12-6-2/h15-16H,5-14,19-20H2,1-4H3.
What are the key properties of 1,2-di(hexan-3-yl)cyclohexane-1,2-diamine?
1,2-di(hexan-3-yl)cyclohexane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(hexan-3-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 141199868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).