1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine

C20H33N — CID 63415913

IUPAC1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine
SMILESCCCNC(CCCc1ccccc1)C1CCC(C)CC1
InChIInChI=1S/C20H33N/c1-3-16-21-20(19-14-12-17(2)13-15-19)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,17,19-21H,3,7,10-16H2,1-2H3
InChIKeyAYYJYWXYQWPXKG-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.20
Rot. Bonds8

About 1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine

1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine (PubChem CID 63415913) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine
PubChem CID63415913
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine
SMILESCCCNC(CCCc1ccccc1)C1CCC(C)CC1
InChIInChI=1S/C20H33N/c1-3-16-21-20(19-14-12-17(2)13-15-19)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,17,19-21H,3,7,10-16H2,1-2H3
InChIKeyAYYJYWXYQWPXKG-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylcyclohexyl)-N-propylpentan-1-amine
CID 63415743
1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine
CID 107004361
N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine
CID 65394984
N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine
CID 65334608
5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105139780
1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
CID 62693417
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine
CID 115793737
N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63416041
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
1-cyclopropyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105157131
1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine
CID 65412583

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine (CID 63415913) is 1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine is CCCNC(CCCc1ccccc1)C1CCC(C)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine?
The InChIKey is AYYJYWXYQWPXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-3-16-21-20(19-14-12-17(2)13-15-19)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,17,19-21H,3,7,10-16H2,1-2H3.
What are the key properties of 1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine?
1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 63415913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).