N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine

C18H29N — CID 65410254

IUPACN-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C1CCC(CC)C1
InChIInChI=1S/C18H29N/c1-4-12-19-18(16-9-6-14(3)7-10-16)17-11-8-15(5-2)13-17/h6-7,9-10,15,17-19H,4-5,8,11-13H2,1-3H3
InChIKeyYKDVTFDOSITVSN-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.86
Rot. Bonds6

About N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine

N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine (PubChem CID 65410254) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine
PubChem CID65410254
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C1CCC(CC)C1
InChIInChI=1S/C18H29N/c1-4-12-19-18(16-9-6-14(3)7-10-16)17-11-8-15(5-2)13-17/h6-7,9-10,15,17-19H,4-5,8,11-13H2,1-3H3
InChIKeyYKDVTFDOSITVSN-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine
CID 65412412
N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64740428
N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine
CID 65411811
N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65391838
N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 65409670
N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 104992258
N-[(3-ethylcyclopentyl)-(4-ethylphenyl)methyl]ethanamine
CID 65411617
N-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine
CID 65409865
N-[(3-ethylcyclopentyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 65410648
2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 63448573
N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine
CID 65412296
N-[(3,4-dimethylcyclohexyl)-(4-iodophenyl)methyl]propan-1-amine
CID 104989552

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine (CID 65410254) is N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)cc1)C1CCC(CC)C1.
What is the InChIKey of N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine?
The InChIKey is YKDVTFDOSITVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-12-19-18(16-9-6-14(3)7-10-16)17-11-8-15(5-2)13-17/h6-7,9-10,15,17-19H,4-5,8,11-13H2,1-3H3.
What are the key properties of N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine?
N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 65410254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).