1-(1-benzylpyrrolidin-3-yl)ethanamine

C13H20N2 — CID 19000545

IUPAC1-(1-benzylpyrrolidin-3-yl)ethanamine
SMILESCC(N)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H20N2/c1-11(14)13-7-8-15(10-13)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3
InChIKeyMVLOUNCMDFCYHO-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.86
Rot. Bonds3

About 1-(1-benzylpyrrolidin-3-yl)ethanamine

1-(1-benzylpyrrolidin-3-yl)ethanamine (PubChem CID 19000545) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)ethanamine
PubChem CID19000545
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(1-benzylpyrrolidin-3-yl)ethanamine
SMILESCC(N)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H20N2/c1-11(14)13-7-8-15(10-13)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3
InChIKeyMVLOUNCMDFCYHO-UHFFFAOYSA-N
XLogP1.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)ethanamine (CID 19000545) is 1-(1-benzylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)ethanamine is CC(N)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)ethanamine?
The InChIKey is MVLOUNCMDFCYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11(14)13-7-8-15(10-13)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3.
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)ethanamine?
1-(1-benzylpyrrolidin-3-yl)ethanamine has a molecular weight of 204.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 19000545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).