1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine

C18H29N — CID 43110325

IUPAC1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine
SMILESCC(C)(C)c1ccc(C(N)CCC2CCCC2)cc1
InChIInChI=1S/C18H29N/c1-18(2,3)16-11-9-15(10-12-16)17(19)13-8-14-6-4-5-7-14/h9-12,14,17H,4-8,13,19H2,1-3H3
InChIKeyDYWXKWUILVUWOA-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.95
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine

1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine (PubChem CID 43110325) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine
PubChem CID43110325
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine
SMILESCC(C)(C)c1ccc(C(N)CCC2CCCC2)cc1
InChIInChI=1S/C18H29N/c1-18(2,3)16-11-9-15(10-12-16)17(19)13-8-14-6-4-5-7-14/h9-12,14,17H,4-8,13,19H2,1-3H3
InChIKeyDYWXKWUILVUWOA-UHFFFAOYSA-N
XLogP4.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine
CID 43625227
1-(4-tert-butylphenyl)-2-cycloheptylethanamine
CID 114457473
1-(4-bromophenyl)-3-cyclopentylpropan-1-amine
CID 43184859
[1-(4-tert-butylphenyl)-3-cyclohexylpropyl]hydrazine
CID 105300386
3-cyclopentyl-1-(4-propylphenyl)propan-1-amine
CID 43106075
1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323254
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402
1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine
CID 62861303
1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993395
1-tert-butyl-4-[(1S)-4-cyclopentyl-1-methoxybutyl]benzene
CID 134850265
3-cyclopentyl-1-naphthalen-2-ylpropan-1-amine
CID 115851068
(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
CID 50999225

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine (CID 43110325) is 1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine is CC(C)(C)c1ccc(C(N)CCC2CCCC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine?
The InChIKey is DYWXKWUILVUWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-18(2,3)16-11-9-15(10-12-16)17(19)13-8-14-6-4-5-7-14/h9-12,14,17H,4-8,13,19H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine?
1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine is sourced from PubChem (CID 43110325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).