1-benzyl-2,2-dimethylpyrrolidine

C13H19N — CID 10954329

IUPAC1-benzyl-2,2-dimethylpyrrolidine
SMILESCC1(C)CCCN1Cc1ccccc1
InChIInChI=1S/C13H19N/c1-13(2)9-6-10-14(13)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyMXXPDLJKKIHIGY-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.06
Rot. Bonds2

About 1-benzyl-2,2-dimethylpyrrolidine

1-benzyl-2,2-dimethylpyrrolidine (PubChem CID 10954329) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-benzyl-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name1-benzyl-2,2-dimethylpyrrolidine
PubChem CID10954329
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-benzyl-2,2-dimethylpyrrolidine
SMILESCC1(C)CCCN1Cc1ccccc1
InChIInChI=1S/C13H19N/c1-13(2)9-6-10-14(13)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyMXXPDLJKKIHIGY-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline
CID 63215847
4-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzoic acid
CID 55220247
3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzoic acid
CID 63219968
1-benzyl-2-methyl-2-propan-2-ylpyrrolidine
CID 163258380
[(2R)-1-benzyl-2-methylpiperidin-2-yl]methanol
CID 97184583
4-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 63219949
1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol
CID 19704375
4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 55163486
(5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane
CID 102412356
3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide
CID 55214615
(1-benzyl-2-methylazetidin-2-yl)methanol
CID 53343747
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,2-dimethylpyrrolidine?
The IUPAC name of 1-benzyl-2,2-dimethylpyrrolidine (CID 10954329) is 1-benzyl-2,2-dimethylpyrrolidine.
What is the SMILES notation for 1-benzyl-2,2-dimethylpyrrolidine?
The canonical SMILES for 1-benzyl-2,2-dimethylpyrrolidine is CC1(C)CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,2-dimethylpyrrolidine?
The InChIKey is MXXPDLJKKIHIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-13(2)9-6-10-14(13)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3.
What are the key properties of 1-benzyl-2,2-dimethylpyrrolidine?
1-benzyl-2,2-dimethylpyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,2-dimethylpyrrolidine is sourced from PubChem (CID 10954329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).