5-benzyl-N-ethylpyrrolidin-3-amine

C13H20N2 — CID 174402952

IUPAC5-benzyl-N-ethylpyrrolidin-3-amine
SMILESCCNC1CNC(Cc2ccccc2)C1
InChIInChI=1S/C13H20N2/c1-2-14-13-9-12(15-10-13)8-11-6-4-3-5-7-11/h3-7,12-15H,2,8-10H2,1H3
InChIKeyARYJRQOHMPYKDA-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.57
Rot. Bonds4

About 5-benzyl-N-ethylpyrrolidin-3-amine

5-benzyl-N-ethylpyrrolidin-3-amine (PubChem CID 174402952) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 5-benzyl-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound Name5-benzyl-N-ethylpyrrolidin-3-amine
PubChem CID174402952
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name5-benzyl-N-ethylpyrrolidin-3-amine
SMILESCCNC1CNC(Cc2ccccc2)C1
InChIInChI=1S/C13H20N2/c1-2-14-13-9-12(15-10-13)8-11-6-4-3-5-7-11/h3-7,12-15H,2,8-10H2,1H3
InChIKeyARYJRQOHMPYKDA-UHFFFAOYSA-N
XLogP1.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(5-benzyl-1-ethylpiperazin-2-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-ethylpyrrolidin-3-amine?
The IUPAC name of 5-benzyl-N-ethylpyrrolidin-3-amine (CID 174402952) is 5-benzyl-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for 5-benzyl-N-ethylpyrrolidin-3-amine?
The canonical SMILES for 5-benzyl-N-ethylpyrrolidin-3-amine is CCNC1CNC(Cc2ccccc2)C1.
What is the InChIKey of 5-benzyl-N-ethylpyrrolidin-3-amine?
The InChIKey is ARYJRQOHMPYKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-14-13-9-12(15-10-13)8-11-6-4-3-5-7-11/h3-7,12-15H,2,8-10H2,1H3.
What are the key properties of 5-benzyl-N-ethylpyrrolidin-3-amine?
5-benzyl-N-ethylpyrrolidin-3-amine has a molecular weight of 204.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 174402952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).