2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine

C18H28N2 — CID 82378997

IUPAC2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine
SMILESNCC(C1CCCC1)C1CCCN1Cc1ccccc1
InChIInChI=1S/C18H28N2/c19-13-17(16-9-4-5-10-16)18-11-6-12-20(18)14-15-7-2-1-3-8-15/h1-3,7-8,16-18H,4-6,9-14,19H2
InChIKeyWCXJIYUSZCTJTF-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.42
Rot. Bonds5

About 2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine

2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine (PubChem CID 82378997) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine.

Molecular Properties

Compound Name2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine
PubChem CID82378997
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine
SMILESNCC(C1CCCC1)C1CCCN1Cc1ccccc1
InChIInChI=1S/C18H28N2/c19-13-17(16-9-4-5-10-16)18-11-6-12-20(18)14-15-7-2-1-3-8-15/h1-3,7-8,16-18H,4-6,9-14,19H2
InChIKeyWCXJIYUSZCTJTF-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzylpiperidin-2-yl)propan-1-amine
CID 82390227
(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride
CID 22235333
2-amino-2-(1-benzylpiperidin-2-yl)ethanol
CID 83982295
(2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine
CID 11715624
(1S)-1-[(2S)-1-benzylpyrrolidin-2-yl]-2-phenylethanethiol
CID 101430325
(1-benzylpiperidin-2-yl)-phenylmethanol
CID 14816704
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
(2R)-1-benzylpiperidin-2-amine
CID 97050484
1-benzyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine;ethane
CID 123575402
(3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol
CID 97169769
[(2R)-1-benzylpiperidin-2-yl]-hydroxymethanesulfonic acid;tungsten
CID 59075959
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine?
The IUPAC name of 2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine (CID 82378997) is 2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine.
What is the SMILES notation for 2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine?
The canonical SMILES for 2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine is NCC(C1CCCC1)C1CCCN1Cc1ccccc1.
What is the InChIKey of 2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine?
The InChIKey is WCXJIYUSZCTJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c19-13-17(16-9-4-5-10-16)18-11-6-12-20(18)14-15-7-2-1-3-8-15/h1-3,7-8,16-18H,4-6,9-14,19H2.
What are the key properties of 2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine?
2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine has a molecular weight of 272.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine is sourced from PubChem (CID 82378997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).