3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine

C18H29N — CID 112569630

IUPAC3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine
SMILESCC(C)(C)c1ccc(CC(CN)C2CCCC2)cc1
InChIInChI=1S/C18H29N/c1-18(2,3)17-10-8-14(9-11-17)12-16(13-19)15-6-4-5-7-15/h8-11,15-16H,4-7,12-13,19H2,1-3H3
InChIKeyBTKBZCFYAVPYMH-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.29
Rot. Bonds4

About 3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine

3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine (PubChem CID 112569630) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine
PubChem CID112569630
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine
SMILESCC(C)(C)c1ccc(CC(CN)C2CCCC2)cc1
InChIInChI=1S/C18H29N/c1-18(2,3)17-10-8-14(9-11-17)12-16(13-19)15-6-4-5-7-15/h8-11,15-16H,4-7,12-13,19H2,1-3H3
InChIKeyBTKBZCFYAVPYMH-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)-1-cyclohexylethanamine
CID 63411930
2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine
CID 82075851
3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine
CID 82077917
2-cyclopentyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 112569664
1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine
CID 103168467
2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413965
2-(4-tert-butylphenyl)-1-cyclopropylethanol
CID 62608769
2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine
CID 65331958
(2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine
CID 173408171
3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine
CID 112565416
[1-bromo-3-(4-methylphenyl)propan-2-yl]cycloheptane
CID 82946366
2-(4-tert-butylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107188307

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine?
The IUPAC name of 3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine (CID 112569630) is 3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine?
The canonical SMILES for 3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine is CC(C)(C)c1ccc(CC(CN)C2CCCC2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine?
The InChIKey is BTKBZCFYAVPYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-18(2,3)17-10-8-14(9-11-17)12-16(13-19)15-6-4-5-7-15/h8-11,15-16H,4-7,12-13,19H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine?
3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine is sourced from PubChem (CID 112569630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).