N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine

C20H33N — CID 65409670

IUPACN-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(C)cc1C)C1CCC(CC)C1
InChIInChI=1S/C20H33N/c1-6-10-21-20(18-9-8-17(7-2)13-18)19-12-15(4)14(3)11-16(19)5/h11-12,17-18,20-21H,6-10,13H2,1-5H3
InChIKeyCCVWPDGRXCSUFB-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.48
Rot. Bonds6

About N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine

N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine (PubChem CID 65409670) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
PubChem CID65409670
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(C)cc1C)C1CCC(CC)C1
InChIInChI=1S/C20H33N/c1-6-10-21-20(18-9-8-17(7-2)13-18)19-12-15(4)14(3)11-16(19)5/h11-12,17-18,20-21H,6-10,13H2,1-5H3
InChIKeyCCVWPDGRXCSUFB-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 65410252
N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65410254
N-[(3-ethylcyclopentyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 65410648
N-[(3-ethylcyclopentyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 65411816
N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine
CID 65412412
N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine
CID 113319474
N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine
CID 65411811
N-[(3-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 82791518
N-[(3,6-dimethylpyridazin-4-yl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 105156216
N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415003
N-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine
CID 65409865
N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 105155357

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine (CID 65409670) is N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine is CCCNC(c1cc(C)c(C)cc1C)C1CCC(CC)C1.
What is the InChIKey of N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine?
The InChIKey is CCVWPDGRXCSUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-6-10-21-20(18-9-8-17(7-2)13-18)19-12-15(4)14(3)11-16(19)5/h11-12,17-18,20-21H,6-10,13H2,1-5H3.
What are the key properties of N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine?
N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 65409670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).