4-(3-butylphenyl)cyclohexan-1-amine

C16H25N — CID 54377975

IUPAC4-(3-butylphenyl)cyclohexan-1-amine
SMILESCCCCc1cccc(C2CCC(N)CC2)c1
InChIInChI=1S/C16H25N/c1-2-3-5-13-6-4-7-15(12-13)14-8-10-16(17)11-9-14/h4,6-7,12,14,16H,2-3,5,8-11,17H2,1H3
InChIKeyUXXDMZRUMIOILL-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.01
Rot. Bonds4

About 4-(3-butylphenyl)cyclohexan-1-amine

4-(3-butylphenyl)cyclohexan-1-amine (PubChem CID 54377975) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-(3-butylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-butylphenyl)cyclohexan-1-amine
PubChem CID54377975
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-(3-butylphenyl)cyclohexan-1-amine
SMILESCCCCc1cccc(C2CCC(N)CC2)c1
InChIInChI=1S/C16H25N/c1-2-3-5-13-6-4-7-15(12-13)14-8-10-16(17)11-9-14/h4,6-7,12,14,16H,2-3,5,8-11,17H2,1H3
InChIKeyUXXDMZRUMIOILL-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine
CID 117366404
2-(3-cyclopropylphenyl)ethanamine
CID 79983898
4-(3-cyclopentylphenyl)butan-1-amine
CID 117310057
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
2-(3-cyclobutylphenyl)ethanamine
CID 83827556
1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine
CID 91315329
2-(3-propylphenyl)cyclobutan-1-amine
CID 116546379
2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79978936
4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 79976953
(1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 10726726
4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 79977194
2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117366374

Frequently Asked Questions

What is the IUPAC name of 4-(3-butylphenyl)cyclohexan-1-amine?
The IUPAC name of 4-(3-butylphenyl)cyclohexan-1-amine (CID 54377975) is 4-(3-butylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(3-butylphenyl)cyclohexan-1-amine?
The canonical SMILES for 4-(3-butylphenyl)cyclohexan-1-amine is CCCCc1cccc(C2CCC(N)CC2)c1.
What is the InChIKey of 4-(3-butylphenyl)cyclohexan-1-amine?
The InChIKey is UXXDMZRUMIOILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-2-3-5-13-6-4-7-15(12-13)14-8-10-16(17)11-9-14/h4,6-7,12,14,16H,2-3,5,8-11,17H2,1H3.
What are the key properties of 4-(3-butylphenyl)cyclohexan-1-amine?
4-(3-butylphenyl)cyclohexan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 54377975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).