3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine

C17H27N — CID 43625227

IUPAC3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine
SMILESCC(C)c1ccc(C(N)CCC2CCCC2)cc1
InChIInChI=1S/C17H27N/c1-13(2)15-8-10-16(11-9-15)17(18)12-7-14-5-3-4-6-14/h8-11,13-14,17H,3-7,12,18H2,1-2H3
InChIKeyZZBANSKQZBQVMF-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.78
Rot. Bonds5

About 3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine

3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine (PubChem CID 43625227) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine
PubChem CID43625227
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine
SMILESCC(C)c1ccc(C(N)CCC2CCCC2)cc1
InChIInChI=1S/C17H27N/c1-13(2)15-8-10-16(11-9-15)17(18)12-7-14-5-3-4-6-14/h8-11,13-14,17H,3-7,12,18H2,1-2H3
InChIKeyZZBANSKQZBQVMF-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine
CID 43110325
1-(4-bromophenyl)-3-cyclopentylpropan-1-amine
CID 43184859
3-cyclopentyl-1-(4-propylphenyl)propan-1-amine
CID 43106075
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
3-cyclopentyl-1-naphthalen-2-ylpropan-1-amine
CID 115851068
4-cyclopentyl-1-phenylbutan-1-amine
CID 64504653
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
3-cyclopentyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 43197405
3-cyclopentyl-1-(5-methylthiophen-3-yl)propan-1-amine
CID 104991519
3-(3-ethylcyclohexyl)-1-phenylpropan-1-amine
CID 64505370
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171200402

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine (CID 43625227) is 3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine is CC(C)c1ccc(C(N)CCC2CCCC2)cc1.
What is the InChIKey of 3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine?
The InChIKey is ZZBANSKQZBQVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)15-8-10-16(11-9-15)17(18)12-7-14-5-3-4-6-14/h8-11,13-14,17H,3-7,12,18H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine?
3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine is sourced from PubChem (CID 43625227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).