1-(4-cyclohexylphenyl)butane-1,4-diamine

C16H26N2 — CID 116933691

IUPAC1-(4-cyclohexylphenyl)butane-1,4-diamine
SMILESNCCCC(N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H26N2/c17-12-4-7-16(18)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h8-11,13,16H,1-7,12,17-18H2
InChIKeyDWZHTDXZGFZZKE-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.47
Rot. Bonds5

About 1-(4-cyclohexylphenyl)butane-1,4-diamine

1-(4-cyclohexylphenyl)butane-1,4-diamine (PubChem CID 116933691) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)butane-1,4-diamine.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)butane-1,4-diamine
PubChem CID116933691
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(4-cyclohexylphenyl)butane-1,4-diamine
SMILESNCCCC(N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H26N2/c17-12-4-7-16(18)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h8-11,13,16H,1-7,12,17-18H2
InChIKeyDWZHTDXZGFZZKE-UHFFFAOYSA-N
XLogP3.47
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-cyclohexylphenyl)butane-1,4-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)hexan-1-amine
CID 43125388
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine
CID 116934155
1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
CID 105044997
1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine
CID 116933539
1-(4-cyclobutylphenyl)-3-ethoxypropan-1-amine
CID 105185330
4-amino-4-(4-cyclohexylphenyl)butan-2-one
CID 116940518
2-amino-1-(4-cyclohexylphenyl)ethanol
CID 82114264
4-(4-cyclopentylphenyl)butan-1-amine
CID 117310056
(1S)-1-(4-iodophenyl)butane-1,4-diamine;hydrochloride
CID 171222428
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)butane-1,4-diamine?
The IUPAC name of 1-(4-cyclohexylphenyl)butane-1,4-diamine (CID 116933691) is 1-(4-cyclohexylphenyl)butane-1,4-diamine.
What is the SMILES notation for 1-(4-cyclohexylphenyl)butane-1,4-diamine?
The canonical SMILES for 1-(4-cyclohexylphenyl)butane-1,4-diamine is NCCCC(N)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)butane-1,4-diamine?
The InChIKey is DWZHTDXZGFZZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c17-12-4-7-16(18)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h8-11,13,16H,1-7,12,17-18H2.
What are the key properties of 1-(4-cyclohexylphenyl)butane-1,4-diamine?
1-(4-cyclohexylphenyl)butane-1,4-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)butane-1,4-diamine is sourced from PubChem (CID 116933691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).