3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine

C18H29N — CID 104990513

IUPAC3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine
SMILESCNC(CCC1CCCC1)c1cc(C)c(C)cc1C
InChIInChI=1S/C18H29N/c1-13-11-15(3)17(12-14(13)2)18(19-4)10-9-16-7-5-6-8-16/h11-12,16,18-19H,5-10H2,1-4H3
InChIKeyDBUZZUYSZYPYNB-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.84
Rot. Bonds5

About 3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine

3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine (PubChem CID 104990513) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine
PubChem CID104990513
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine
SMILESCNC(CCC1CCCC1)c1cc(C)c(C)cc1C
InChIInChI=1S/C18H29N/c1-13-11-15(3)17(12-14(13)2)18(19-4)10-9-16-7-5-6-8-16/h11-12,16,18-19H,5-10H2,1-4H3
InChIKeyDBUZZUYSZYPYNB-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 43482676
3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine
CID 102757776
3-cyclohexyl-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 43484245
3-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)-N-methylpropan-1-amine
CID 81155888
3-cyclopentyl-N-methyl-1-(3-methyl-4-pyridinyl)propan-1-amine
CID 114192227
3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 63506516
1-(5-chloro-4-methylthiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine
CID 102763726
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 43480073
1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine
CID 114192091
N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 113362151
1-(5-bromo-4-fluoro-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 103394525
3-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 114192965

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine (CID 104990513) is 3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine is CNC(CCC1CCCC1)c1cc(C)c(C)cc1C.
What is the InChIKey of 3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine?
The InChIKey is DBUZZUYSZYPYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13-11-15(3)17(12-14(13)2)18(19-4)10-9-16-7-5-6-8-16/h11-12,16,18-19H,5-10H2,1-4H3.
What are the key properties of 3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine?
3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine is sourced from PubChem (CID 104990513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).