5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine

C19H31N — CID 65300733

IUPAC5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine
SMILESCC(C)(CCN)CCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H31N/c1-19(2,14-15-20)13-12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h8-11,17H,3-7,12-15,20H2,1-2H3
InChIKeyJQVWZKQRMNAGMA-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.04
Rot. Bonds6

About 5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine

5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine (PubChem CID 65300733) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine
PubChem CID65300733
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine
SMILESCC(C)(CCN)CCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H31N/c1-19(2,14-15-20)13-12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h8-11,17H,3-7,12-15,20H2,1-2H3
InChIKeyJQVWZKQRMNAGMA-UHFFFAOYSA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine
CID 65303999
4-(4-cyclopentylphenyl)butan-1-amine
CID 117310056
(4-cyclohexylphenyl)methanamine
CID 22246867
N'-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 82493726
N'-(4-cyclohexylphenyl)butane-1,4-diamine
CID 115200971
2-(4-cyclohexylphenyl)-N-(hydrazinylmethyl)ethanamine
CID 115261089
2-(4-cyclobutylphenyl)-N-methylethanamine
CID 83829400
3-(4-cyclohexylphenyl)-2-methylpropan-1-amine
CID 116924713
1-cyclohexyl-4-(methylsulfanylmethyl)benzene
CID 59166778
3-(4-cyclobutylphenyl)-N-methylpropan-1-amine
CID 116506759
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
[2-(4-cyclohexylphenyl)ethyl-methylamino]methanethiol
CID 115228386

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine?
The IUPAC name of 5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine (CID 65300733) is 5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine is CC(C)(CCN)CCc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine?
The InChIKey is JQVWZKQRMNAGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-19(2,14-15-20)13-12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h8-11,17H,3-7,12-15,20H2,1-2H3.
What are the key properties of 5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine?
5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 65300733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).