1-benzyl-2-methyl-2-propan-2-ylpyrrolidine

C15H23N — CID 163258380

IUPAC1-benzyl-2-methyl-2-propan-2-ylpyrrolidine
SMILESCC(C)C1(C)CCCN1Cc1ccccc1
InChIInChI=1S/C15H23N/c1-13(2)15(3)10-7-11-16(15)12-14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3
InChIKeyBCZABRVIOJODDS-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.70
Rot. Bonds3

About 1-benzyl-2-methyl-2-propan-2-ylpyrrolidine

1-benzyl-2-methyl-2-propan-2-ylpyrrolidine (PubChem CID 163258380) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-benzyl-2-methyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-benzyl-2-methyl-2-propan-2-ylpyrrolidine
PubChem CID163258380
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-benzyl-2-methyl-2-propan-2-ylpyrrolidine
SMILESCC(C)C1(C)CCCN1Cc1ccccc1
InChIInChI=1S/C15H23N/c1-13(2)15(3)10-7-11-16(15)12-14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3
InChIKeyBCZABRVIOJODDS-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-2-methyl-2-propan-2-ylpyrrolidine 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-benzyl-2,2-dimethylpyrrolidine
CID 10954329
[(2R)-1-benzyl-2-methylpiperidin-2-yl]methanol
CID 97184583
1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol
CID 19704375
2-methoxy-5-[(2-methyl-2-propan-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 163258238
(5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane
CID 102412356
9-benzyl-1-(2-methylpropyl)-1,9-diazaspiro[4.5]decane
CID 134070880
(1-benzyl-2-methylazetidin-2-yl)methanol
CID 53343747
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 73013443
4-[(2-benzyl-2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 122032957
1-benzyl-2-methylpiperidine-2-carboxylate
CID 71434868
1-benzyl-1-azaspiro[4.4]nonan-9-one
CID 138106111

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 1-benzyl-2-methyl-2-propan-2-ylpyrrolidine (CID 163258380) is 1-benzyl-2-methyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-benzyl-2-methyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1-benzyl-2-methyl-2-propan-2-ylpyrrolidine is CC(C)C1(C)CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methyl-2-propan-2-ylpyrrolidine?
The InChIKey is BCZABRVIOJODDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-13(2)15(3)10-7-11-16(15)12-14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3.
What are the key properties of 1-benzyl-2-methyl-2-propan-2-ylpyrrolidine?
1-benzyl-2-methyl-2-propan-2-ylpyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 163258380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).