(3-benzylpyrrolidin-3-yl)methanamine

C12H18N2 — CID 142188778

IUPAC(3-benzylpyrrolidin-3-yl)methanamine
SMILESNCC1(Cc2ccccc2)CCNC1
InChIInChI=1S/C12H18N2/c13-9-12(6-7-14-10-12)8-11-4-2-1-3-5-11/h1-5,14H,6-10,13H2
InChIKeyYQTLFOUINWDBQX-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.17
Rot. Bonds3

About (3-benzylpyrrolidin-3-yl)methanamine

(3-benzylpyrrolidin-3-yl)methanamine (PubChem CID 142188778) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (3-benzylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(3-benzylpyrrolidin-3-yl)methanamine
PubChem CID142188778
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(3-benzylpyrrolidin-3-yl)methanamine
SMILESNCC1(Cc2ccccc2)CCNC1
InChIInChI=1S/C12H18N2/c13-9-12(6-7-14-10-12)8-11-4-2-1-3-5-11/h1-5,14H,6-10,13H2
InChIKeyYQTLFOUINWDBQX-UHFFFAOYSA-N
XLogP1.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3-benzylpyrrolidin-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-benzylcycloheptyl)methanamine
CID 65391702
(1-benzylcyclooctyl)methanamine
CID 80602159
(1-benzylcyclopropyl)methanamine;hydrochloride
CID 86277151
3-benzyl-3-(fluoromethyl)piperidine
CID 84779719
3-benzyl-3-methylpyrrolidine
CID 58254769
3-benzylpyrrolidin-3-ol;hydrochloride
CID 122508012
3-benzyl-3-prop-2-enylpiperidine
CID 123751014
3-benzyl-3-[(4-chlorophenyl)methyl]azetidine
CID 79451717
4-benzyl-4-fluoropiperidine;ethane
CID 154662481
3-benzyl-3-butylazetidine
CID 79451820
[4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine
CID 105461999
3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine
CID 114935042

Frequently Asked Questions

What is the IUPAC name of (3-benzylpyrrolidin-3-yl)methanamine?
The IUPAC name of (3-benzylpyrrolidin-3-yl)methanamine (CID 142188778) is (3-benzylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (3-benzylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (3-benzylpyrrolidin-3-yl)methanamine is NCC1(Cc2ccccc2)CCNC1.
What is the InChIKey of (3-benzylpyrrolidin-3-yl)methanamine?
The InChIKey is YQTLFOUINWDBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-9-12(6-7-14-10-12)8-11-4-2-1-3-5-11/h1-5,14H,6-10,13H2.
What are the key properties of (3-benzylpyrrolidin-3-yl)methanamine?
(3-benzylpyrrolidin-3-yl)methanamine has a molecular weight of 190.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 142188778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).