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

C17H28N2 — CID 116934155

IUPAC1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine
SMILESCC(CN)CC(N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H28N2/c1-13(12-18)11-17(19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-10,13-14,17H,2-6,11-12,18-19H2,1H3
InChIKeyVEQQTVRFOPUVNH-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.72
Rot. Bonds5

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

1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine (PubChem CID 116934155) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine
PubChem CID116934155
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine
SMILESCC(CN)CC(N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H28N2/c1-13(12-18)11-17(19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-10,13-14,17H,2-6,11-12,18-19H2,1H3
InChIKeyVEQQTVRFOPUVNH-UHFFFAOYSA-N
XLogP3.72
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
3-(4-cyclohexylphenyl)-2-methylpropan-1-amine
CID 116924713
1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine
CID 116506443
1-(4-cyclohexylphenyl)butane-1,4-diamine
CID 116933691
1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine
CID 116933539
2-(4-cyclobutylphenyl)propan-1-amine
CID 116507054
1-(4-cyclohexylphenyl)hexan-1-amine
CID 43125388
4-amino-4-(4-cyclohexylphenyl)butan-2-one
CID 116940518
2-amino-1-(4-cyclohexylphenyl)ethanol
CID 82114264
1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
CID 105044997
1-(4-cyclopropylphenyl)ethanamine
CID 55211304

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine?
The IUPAC name of 1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine (CID 116934155) is 1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine?
The canonical SMILES for 1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine is CC(CN)CC(N)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine?
The InChIKey is VEQQTVRFOPUVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(12-18)11-17(19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-10,13-14,17H,2-6,11-12,18-19H2,1H3.
What are the key properties of 1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine?
1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.72, 5 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-1,4-diamine is sourced from PubChem (CID 116934155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).