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

C16H26N2 — CID 115200971

IUPACN'-(4-cyclohexylphenyl)butane-1,4-diamine
SMILESNCCCCNc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H26N2/c17-12-4-5-13-18-16-10-8-15(9-11-16)14-6-2-1-3-7-14/h8-11,14,18H,1-7,12-13,17H2
InChIKeyYBQNMMSSXNSSHZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.89
Rot. Bonds6

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

N'-(4-cyclohexylphenyl)butane-1,4-diamine (PubChem CID 115200971) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-(4-cyclohexylphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(4-cyclohexylphenyl)butane-1,4-diamine
PubChem CID115200971
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-(4-cyclohexylphenyl)butane-1,4-diamine
SMILESNCCCCNc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H26N2/c17-12-4-5-13-18-16-10-8-15(9-11-16)14-6-2-1-3-7-14/h8-11,14,18H,1-7,12-13,17H2
InChIKeyYBQNMMSSXNSSHZ-UHFFFAOYSA-N
XLogP3.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 82493726
N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 3069993
4-(4-cyclopentylphenyl)butan-1-amine
CID 117310056
N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine
CID 3069986
N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine
CID 83949113
5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine
CID 65300733
4-N-(6-aminohexyl)benzene-1,4-diamine
CID 150601904
butane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine
CID 144563986
[4-(4-aminobutylamino)phenyl]methanol
CID 83962271
N'-[4-(4,5-dihydrothiadiazol-4-yl)phenyl]pentane-1,5-diamine
CID 91567190
1-(4-cyclohexylphenyl)butane-1,4-diamine
CID 116933691
(4-cyclohexylphenyl)methanamine
CID 22246867

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyclohexylphenyl)butane-1,4-diamine?
The IUPAC name of N'-(4-cyclohexylphenyl)butane-1,4-diamine (CID 115200971) is N'-(4-cyclohexylphenyl)butane-1,4-diamine.
What is the SMILES notation for N'-(4-cyclohexylphenyl)butane-1,4-diamine?
The canonical SMILES for N'-(4-cyclohexylphenyl)butane-1,4-diamine is NCCCCNc1ccc(C2CCCCC2)cc1.
What is the InChIKey of N'-(4-cyclohexylphenyl)butane-1,4-diamine?
The InChIKey is YBQNMMSSXNSSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c17-12-4-5-13-18-16-10-8-15(9-11-16)14-6-2-1-3-7-14/h8-11,14,18H,1-7,12-13,17H2.
What are the key properties of N'-(4-cyclohexylphenyl)butane-1,4-diamine?
N'-(4-cyclohexylphenyl)butane-1,4-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyclohexylphenyl)butane-1,4-diamine is sourced from PubChem (CID 115200971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).