4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine

C17H27N — CID 117366404

IUPAC4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine
SMILESCC1CCC(c2cccc(CCCCN)c2)CC1
InChIInChI=1S/C17H27N/c1-14-8-10-16(11-9-14)17-7-4-6-15(13-17)5-2-3-12-18/h4,6-7,13-14,16H,2-3,5,8-12,18H2,1H3
InChIKeyORTFIGGFIZUNPW-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.26
Rot. Bonds5

About 4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine

4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine (PubChem CID 117366404) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine
PubChem CID117366404
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine
SMILESCC1CCC(c2cccc(CCCCN)c2)CC1
InChIInChI=1S/C17H27N/c1-14-8-10-16(11-9-14)17-7-4-6-15(13-17)5-2-3-12-18/h4,6-7,13-14,16H,2-3,5,8-12,18H2,1H3
InChIKeyORTFIGGFIZUNPW-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3-cyclopentylphenyl)butan-1-amine
CID 117310057
2-(3-cyclopropylphenyl)ethanamine
CID 79983898
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
4-(3-butylphenyl)cyclohexan-1-amine
CID 54377975
2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117366374
N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine
CID 79979439
2-(3-cyclobutylphenyl)ethanamine
CID 83827556
N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979365
4-(3-cyclopropyl-5-methylphenyl)butan-1-amine
CID 66581588
1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine
CID 117462174
2-(4-methylcyclohexyl)-6-pentylnaphthalene
CID 20500456
4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 79976953

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine?
The IUPAC name of 4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine (CID 117366404) is 4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine.
What is the SMILES notation for 4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine?
The canonical SMILES for 4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine is CC1CCC(c2cccc(CCCCN)c2)CC1.
What is the InChIKey of 4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine?
The InChIKey is ORTFIGGFIZUNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14-8-10-16(11-9-14)17-7-4-6-15(13-17)5-2-3-12-18/h4,6-7,13-14,16H,2-3,5,8-12,18H2,1H3.
What are the key properties of 4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine?
4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine is sourced from PubChem (CID 117366404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).