2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine

C18H28N2 — CID 62133940

IUPAC2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1N1CCC(c2ccccc2)C1
InChIInChI=1S/C18H28N2/c1-2-12-19-17-9-6-10-18(17)20-13-11-16(14-20)15-7-4-3-5-8-15/h3-5,7-8,16-19H,2,6,9-14H2,1H3
InChIKeyAMGQVVQUPDARSD-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.40
Rot. Bonds5

About 2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine

2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine (PubChem CID 62133940) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine
PubChem CID62133940
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1N1CCC(c2ccccc2)C1
InChIInChI=1S/C18H28N2/c1-2-12-19-17-9-6-10-18(17)20-13-11-16(14-20)15-7-4-3-5-8-15/h3-5,7-8,16-19H,2,6,9-14H2,1H3
InChIKeyAMGQVVQUPDARSD-UHFFFAOYSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine
CID 79174695
N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine
CID 79617835
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 62615234
2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine
CID 65281074
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylcyclohexan-1-amine
CID 79938748
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
CID 79187934
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentan-1-amine
CID 66394027
2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 103494992
2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine
CID 62133199
(3S)-1-cyclopentyl-3-phenylpyrrolidine
CID 97327940
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine
CID 79188224

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine (CID 62133940) is 2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine is CCCNC1CCCC1N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine?
The InChIKey is AMGQVVQUPDARSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-12-19-17-9-6-10-18(17)20-13-11-16(14-20)15-7-4-3-5-8-15/h3-5,7-8,16-19H,2,6,9-14H2,1H3.
What are the key properties of 2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine?
2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 62133940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).