1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine

C17H28N2 — CID 116933539

IUPAC1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine
SMILESCC(C)(N)CC(N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H28N2/c1-17(2,19)12-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13,16H,3-7,12,18-19H2,1-2H3
InChIKeyUGCJKCISEHBPMC-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.86
Rot. Bonds4

About 1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine

1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine (PubChem CID 116933539) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine
PubChem CID116933539
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine
SMILESCC(C)(N)CC(N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H28N2/c1-17(2,19)12-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13,16H,3-7,12,18-19H2,1-2H3
InChIKeyUGCJKCISEHBPMC-UHFFFAOYSA-N
XLogP3.86
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-cyclohexylphenyl)-3-methylbutane-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

1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol
CID 116942075
1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine
CID 116934155
1-(4-cyclohexylphenyl)hexan-1-amine
CID 43125388
4-amino-4-(4-cyclohexylphenyl)butan-2-one
CID 116940518
1-(4-cyclohexylphenyl)butane-1,4-diamine
CID 116933691
1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
CID 105044997
1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine
CID 105044925
1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene
CID 63432566
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene
CID 23566418

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine?
The IUPAC name of 1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine (CID 116933539) is 1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine?
The canonical SMILES for 1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine is CC(C)(N)CC(N)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine?
The InChIKey is UGCJKCISEHBPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,19)12-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13,16H,3-7,12,18-19H2,1-2H3.
What are the key properties of 1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine?
1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine is sourced from PubChem (CID 116933539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).