1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine

C19H31N — CID 105138992

IUPAC1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccc(C)cc1)CC1CCCC1
InChIInChI=1S/C19H31N/c1-3-14-20-19(15-18-6-4-5-7-18)13-12-17-10-8-16(2)9-11-17/h8-11,18-20H,3-7,12-15H2,1-2H3
InChIKeyLWRYTZBHUNZUAR-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.88
Rot. Bonds8

About 1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine

1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine (PubChem CID 105138992) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine
PubChem CID105138992
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccc(C)cc1)CC1CCCC1
InChIInChI=1S/C19H31N/c1-3-14-20-19(15-18-6-4-5-7-18)13-12-17-10-8-16(2)9-11-17/h8-11,18-20H,3-7,12-15H2,1-2H3
InChIKeyLWRYTZBHUNZUAR-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)-N-propylpentan-3-amine
CID 60994999
1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine
CID 105135868
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62600838
6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 105127031
1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
CID 105138737
7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine
CID 105177113
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 114458153
4-(4-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165398
1-cycloheptyl-5-methyl-N-propylhexan-2-amine
CID 115834105
1-cyclopentyl-N-propyldodecan-2-amine
CID 115845917

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine?
The IUPAC name of 1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine (CID 105138992) is 1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine?
The canonical SMILES for 1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine is CCCNC(CCc1ccc(C)cc1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine?
The InChIKey is LWRYTZBHUNZUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-3-14-20-19(15-18-6-4-5-7-18)13-12-17-10-8-16(2)9-11-17/h8-11,18-20H,3-7,12-15H2,1-2H3.
What are the key properties of 1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine?
1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine has a molecular weight of 273.46 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine is sourced from PubChem (CID 105138992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).