N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine

C13H20N2 — CID 56831736

IUPACN-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
SMILESCN(Cc1ccccc1)CC1CCNC1
InChIInChI=1S/C13H20N2/c1-15(11-13-7-8-14-9-13)10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyOWDUMFUCVYNNMN-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.73
Rot. Bonds4

About N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine

N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine (PubChem CID 56831736) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
PubChem CID56831736
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
SMILESCN(Cc1ccccc1)CC1CCNC1
InChIInChI=1S/C13H20N2/c1-15(11-13-7-8-14-9-13)10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyOWDUMFUCVYNNMN-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine 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

N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 19358411
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 94408590
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
CID 96555702
N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 94408610
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929518
[4-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]methanol
CID 113365922
[4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol
CID 83980394
N-methyl-N-(naphthalen-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929695
N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 119930674

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine (CID 56831736) is N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine is CN(Cc1ccccc1)CC1CCNC1.
What is the InChIKey of N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine?
The InChIKey is OWDUMFUCVYNNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-15(11-13-7-8-14-9-13)10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3.
What are the key properties of N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine?
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine has a molecular weight of 204.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 56831736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).