3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine

C18H29N — CID 115794758

IUPAC3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCC1)c1ccccc1C
InChIInChI=1S/C18H29N/c1-3-14-19-18(13-12-16-9-5-6-10-16)17-11-7-4-8-15(17)2/h4,7-8,11,16,18-19H,3,5-6,9-10,12-14H2,1-2H3
InChIKeyOCENRAAAFCQDNG-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.01
Rot. Bonds7

About 3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine

3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine (PubChem CID 115794758) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine
PubChem CID115794758
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCC1)c1ccccc1C
InChIInChI=1S/C18H29N/c1-3-14-19-18(13-12-16-9-5-6-10-16)17-11-7-4-8-15(17)2/h4,7-8,11,16,18-19H,3,5-6,9-10,12-14H2,1-2H3
InChIKeyOCENRAAAFCQDNG-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
[3-cyclohexyl-1-(2-methylphenyl)propyl]hydrazine
CID 105286051
N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 107398055
3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 104994854
N-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64675083
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608
3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43494684
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine?
The IUPAC name of 3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine (CID 115794758) is 3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine is CCCNC(CCC1CCCC1)c1ccccc1C.
What is the InChIKey of 3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine?
The InChIKey is OCENRAAAFCQDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-14-19-18(13-12-16-9-5-6-10-16)17-11-7-4-8-15(17)2/h4,7-8,11,16,18-19H,3,5-6,9-10,12-14H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine?
3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 115794758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).