N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine

C17H27N — CID 65412412

IUPACN-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)C1CCC(CC)C1
InChIInChI=1S/C17H27N/c1-3-12-18-17(15-8-6-5-7-9-15)16-11-10-14(4-2)13-16/h5-9,14,16-18H,3-4,10-13H2,1-2H3
InChIKeyJZLOAOHNLKJAEW-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.55
Rot. Bonds6

About N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine

N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine (PubChem CID 65412412) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine
PubChem CID65412412
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)C1CCC(CC)C1
InChIInChI=1S/C17H27N/c1-3-12-18-17(15-8-6-5-7-9-15)16-11-10-14(4-2)13-16/h5-9,14,16-18H,3-4,10-13H2,1-2H3
InChIKeyJZLOAOHNLKJAEW-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65410254
N-[(3-ethylcyclopentyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 65410648
N-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine
CID 65409865
N-[(3-ethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 65412612
N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 65409670
N-[(3-ethylcyclopentyl)-(4-ethylphenyl)methyl]ethanamine
CID 65411617
N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 104992292
N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105156132
N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine
CID 65411811
N-[(3-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 82791518
3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898654
N-[(3,4-dimethylcyclohexyl)-(4-iodophenyl)methyl]propan-1-amine
CID 104989552

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine?
The IUPAC name of N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine (CID 65412412) is N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine is CCCNC(c1ccccc1)C1CCC(CC)C1.
What is the InChIKey of N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine?
The InChIKey is JZLOAOHNLKJAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-12-18-17(15-8-6-5-7-9-15)16-11-10-14(4-2)13-16/h5-9,14,16-18H,3-4,10-13H2,1-2H3.
What are the key properties of N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine?
N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine is sourced from PubChem (CID 65412412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).