3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine

C18H29N — CID 112516776

IUPAC3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine
SMILESCCC(C)c1ccc(C(CCN)C2CCCC2)cc1
InChIInChI=1S/C18H29N/c1-3-14(2)15-8-10-17(11-9-15)18(12-13-19)16-6-4-5-7-16/h8-11,14,16,18H,3-7,12-13,19H2,1-2H3
InChIKeyXGAIMLQVQWEJNJ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.82
Rot. Bonds6

About 3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine

3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine (PubChem CID 112516776) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine.

Molecular Properties

Compound Name3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine
PubChem CID112516776
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine
SMILESCCC(C)c1ccc(C(CCN)C2CCCC2)cc1
InChIInChI=1S/C18H29N/c1-3-14(2)15-8-10-17(11-9-15)18(12-13-19)16-6-4-5-7-16/h8-11,14,16,18H,3-7,12-13,19H2,1-2H3
InChIKeyXGAIMLQVQWEJNJ-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopentyl-3-(4-methylphenyl)propan-1-amine
CID 82079151
[(4-butan-2-ylphenyl)-chloromethyl]cyclooctane
CID 65023335
2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine
CID 79022519
3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine
CID 112516911
2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid
CID 82484792
4-butan-2-yl-N-cyclopentylaniline
CID 43681058
3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 112515939
3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine
CID 112517181
3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine
CID 82087861
3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine
CID 82083463
2-[4-(1-cyclopentylethyl)phenyl]ethanamine
CID 115030340
2-cyclobutyl-2-(4-methylphenyl)ethanamine
CID 55269565

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine?
The IUPAC name of 3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine (CID 112516776) is 3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine.
What is the SMILES notation for 3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine?
The canonical SMILES for 3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine is CCC(C)c1ccc(C(CCN)C2CCCC2)cc1.
What is the InChIKey of 3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine?
The InChIKey is XGAIMLQVQWEJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-14(2)15-8-10-17(11-9-15)18(12-13-19)16-6-4-5-7-16/h8-11,14,16,18H,3-7,12-13,19H2,1-2H3.
What are the key properties of 3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine?
3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine is sourced from PubChem (CID 112516776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).