1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine

C19H31N — CID 105024576

IUPAC1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1c(C)cccc1C)CC1CCCC1
InChIInChI=1S/C19H31N/c1-4-12-20-18(13-17-10-5-6-11-17)14-19-15(2)8-7-9-16(19)3/h7-9,17-18,20H,4-6,10-14H2,1-3H3
InChIKeyUIXNPRSZDYLNEK-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.79
Rot. Bonds7

About 1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine

1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine (PubChem CID 105024576) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine
PubChem CID105024576
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1c(C)cccc1C)CC1CCCC1
InChIInChI=1S/C19H31N/c1-4-12-20-18(13-17-10-5-6-11-17)14-19-15(2)8-7-9-16(19)3/h7-9,17-18,20H,4-6,10-14H2,1-3H3
InChIKeyUIXNPRSZDYLNEK-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-cyclobutyl-3-(2,6-dimethylphenyl)propan-2-yl]hydrazine
CID 103170732
1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 114458153
1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103164338
1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
CID 66096136
1-cycloheptyl-3-(furan-2-yl)-N-propylpropan-2-amine
CID 105029141
1-(2,6-dimethylphenyl)-N-propylheptan-2-amine
CID 105024635
1-cyclopropyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 66446508
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine
CID 115842424
1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 105034440
1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 66446739

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine (CID 105024576) is 1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine is CCCNC(Cc1c(C)cccc1C)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine?
The InChIKey is UIXNPRSZDYLNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-12-20-18(13-17-10-5-6-11-17)14-19-15(2)8-7-9-16(19)3/h7-9,17-18,20H,4-6,10-14H2,1-3H3.
What are the key properties of 1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine?
1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine has a molecular weight of 273.46 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 105024576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).