(3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine

C13H20N2 — CID 129386795

IUPAC(3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1CNC[C@H]1Cc1ccccc1
InChIInChI=1S/C13H20N2/c1-15(2)13-10-14-9-12(13)8-11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyGWHHWCKWPIVWJM-CHWSQXEVSA-N
MW204.32 g/mol
LogP1.38
Rot. Bonds3

About (3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine

(3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine (PubChem CID 129386795) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine
PubChem CID129386795
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1CNC[C@H]1Cc1ccccc1
InChIInChI=1S/C13H20N2/c1-15(2)13-10-14-9-12(13)8-11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyGWHHWCKWPIVWJM-CHWSQXEVSA-N
XLogP1.38
TPSA15.27 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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-3-benzyl-4-methoxypyrrolidine
CID 59265809
1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine
CID 68835618
N,N-dibenzyl-4-ethylpyrrolidin-3-amine
CID 130163577
4-[(3S,4S)-4-benzylpyrrolidin-3-yl]benzene-1,2-diol;hydrobromide
CID 70050237
4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol
CID 65487607
3-benzylazetidine;hydrochloride
CID 54592835
(3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide
CID 70849292
3-benzyl-4-butan-2-ylpiperidine
CID 79320392
N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-chloro-N-[[3-[(dimethylamino)methyl]phenyl]methyl]aniline
CID 11648037
(3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol
CID 43598392
(1R,2R)-1-benzyl-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 67652082
4-[(4-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 84684805

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine (CID 129386795) is (3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine is CN(C)[C@@H]1CNC[C@H]1Cc1ccccc1.
What is the InChIKey of (3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is GWHHWCKWPIVWJM-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H20N2/c1-15(2)13-10-14-9-12(13)8-11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine?
(3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 204.32 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 129386795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).