N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine

C19H31N — CID 106008203

IUPACN-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine
SMILESCC(C)C(CNCCCC1CCCC1)c1ccccc1
InChIInChI=1S/C19H31N/c1-16(2)19(18-12-4-3-5-13-18)15-20-14-8-11-17-9-6-7-10-17/h3-5,12-13,16-17,19-20H,6-11,14-15H2,1-2H3
InChIKeyWPJMBXYLDGVYLA-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.99
Rot. Bonds8

About N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine

N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine (PubChem CID 106008203) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine
PubChem CID106008203
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine
SMILESCC(C)C(CNCCCC1CCCC1)c1ccccc1
InChIInChI=1S/C19H31N/c1-16(2)19(18-12-4-3-5-13-18)15-20-14-8-11-17-9-6-7-10-17/h3-5,12-13,16-17,19-20H,6-11,14-15H2,1-2H3
InChIKeyWPJMBXYLDGVYLA-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine
CID 107876045
3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine
CID 102671497
5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine
CID 107876331
3-methyl-2-phenyl-N-(thiolan-2-ylmethyl)butan-1-amine
CID 114011786
N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876225
2-(2-cyclopentylethylamino)-1-phenylethanol
CID 60733935
N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876302
N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876129
2-(2-cyclohexylethylamino)-1-phenylethanol
CID 60752779
N-(3-cyclopentylpropyl)-1-phenylbutan-1-amine
CID 106008352
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine
CID 107876458
3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine
CID 103896914

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine?
The IUPAC name of N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine (CID 106008203) is N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine?
The canonical SMILES for N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine is CC(C)C(CNCCCC1CCCC1)c1ccccc1.
What is the InChIKey of N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine?
The InChIKey is WPJMBXYLDGVYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-16(2)19(18-12-4-3-5-13-18)15-20-14-8-11-17-9-6-7-10-17/h3-5,12-13,16-17,19-20H,6-11,14-15H2,1-2H3.
What are the key properties of N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine?
N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 106008203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).