1-benzyl-N-ethylpyrrolidin-3-amine

C13H20N2 — CID 10330560

IUPAC1-benzyl-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H20N2/c1-2-14-13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKeyZSIUSRJKSLXIJH-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.87
Rot. Bonds4

About 1-benzyl-N-ethylpyrrolidin-3-amine

1-benzyl-N-ethylpyrrolidin-3-amine (PubChem CID 10330560) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-benzyl-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-ethylpyrrolidin-3-amine
PubChem CID10330560
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-benzyl-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H20N2/c1-2-14-13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKeyZSIUSRJKSLXIJH-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-ethylpyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-ethylpyrrolidin-3-amine (CID 10330560) is 1-benzyl-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-ethylpyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-ethylpyrrolidin-3-amine is CCNC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-ethylpyrrolidin-3-amine?
The InChIKey is ZSIUSRJKSLXIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-14-13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3.
What are the key properties of 1-benzyl-N-ethylpyrrolidin-3-amine?
1-benzyl-N-ethylpyrrolidin-3-amine has a molecular weight of 204.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 10330560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).