N-benzyl-1-pyrrolidin-3-ylethanamine

C13H20N2 — CID 67740101

IUPACN-benzyl-1-pyrrolidin-3-ylethanamine
SMILESCC(NCc1ccccc1)C1CCNC1
InChIInChI=1S/C13H20N2/c1-11(13-7-8-14-10-13)15-9-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3
InChIKeyVXKGLACRLFQFOI-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.77
Rot. Bonds4

About N-benzyl-1-pyrrolidin-3-ylethanamine

N-benzyl-1-pyrrolidin-3-ylethanamine (PubChem CID 67740101) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-benzyl-1-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound NameN-benzyl-1-pyrrolidin-3-ylethanamine
PubChem CID67740101
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-benzyl-1-pyrrolidin-3-ylethanamine
SMILESCC(NCc1ccccc1)C1CCNC1
InChIInChI=1S/C13H20N2/c1-11(13-7-8-14-10-13)15-9-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3
InChIKeyVXKGLACRLFQFOI-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-pyrrolidin-3-ylethanamine?
The IUPAC name of N-benzyl-1-pyrrolidin-3-ylethanamine (CID 67740101) is N-benzyl-1-pyrrolidin-3-ylethanamine.
What is the SMILES notation for N-benzyl-1-pyrrolidin-3-ylethanamine?
The canonical SMILES for N-benzyl-1-pyrrolidin-3-ylethanamine is CC(NCc1ccccc1)C1CCNC1.
What is the InChIKey of N-benzyl-1-pyrrolidin-3-ylethanamine?
The InChIKey is VXKGLACRLFQFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11(13-7-8-14-10-13)15-9-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3.
What are the key properties of N-benzyl-1-pyrrolidin-3-ylethanamine?
N-benzyl-1-pyrrolidin-3-ylethanamine has a molecular weight of 204.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 67740101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).