5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine

C20H33N — CID 65303999

IUPAC5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine
SMILESCNCCC(C)(C)CCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H33N/c1-20(2,15-16-21-3)14-13-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h9-12,18,21H,4-8,13-16H2,1-3H3
InChIKeyKLTHCDXRNTWCBJ-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.30
Rot. Bonds7

About 5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine

5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine (PubChem CID 65303999) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine
PubChem CID65303999
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine
SMILESCNCCC(C)(C)CCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H33N/c1-20(2,15-16-21-3)14-13-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h9-12,18,21H,4-8,13-16H2,1-3H3
InChIKeyKLTHCDXRNTWCBJ-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine
CID 65300733
2-(4-cyclobutylphenyl)-N-methylethanamine
CID 83829400
3-(4-cyclobutylphenyl)-N-methylpropan-1-amine
CID 116506759
N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine
CID 65304916
5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine
CID 65303621
2-(4-cyclohexylphenyl)-N-(hydrazinylmethyl)ethanamine
CID 115261089
N-methyl-2-[4-(thian-4-yl)phenyl]ethanamine
CID 115006067
1-(4-cyclohexylphenyl)-N-methylpropan-2-amine
CID 82262296
N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304298
N'-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 82493726
2-(4-cyclohexylphenyl)-1-(methylamino)ethanol
CID 175264213
(4-cyclohexylphenyl)methanamine
CID 22246867

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine?
The IUPAC name of 5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine (CID 65303999) is 5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine.
What is the SMILES notation for 5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine?
The canonical SMILES for 5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine is CNCCC(C)(C)CCc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine?
The InChIKey is KLTHCDXRNTWCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-20(2,15-16-21-3)14-13-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h9-12,18,21H,4-8,13-16H2,1-3H3.
What are the key properties of 5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine?
5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)-N,3,3-trimethylpentan-1-amine is sourced from PubChem (CID 65303999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).