3-benzyl-3-methylpyrrolidine

C12H17N — CID 58254769

IUPAC3-benzyl-3-methylpyrrolidine
SMILESCC1(Cc2ccccc2)CCNC1
InChIInChI=1S/C12H17N/c1-12(7-8-13-10-12)9-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3
InChIKeyOIPKYGFIHKAGAC-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.23
Rot. Bonds2

About 3-benzyl-3-methylpyrrolidine

3-benzyl-3-methylpyrrolidine (PubChem CID 58254769) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 3-benzyl-3-methylpyrrolidine.

Molecular Properties

Compound Name3-benzyl-3-methylpyrrolidine
PubChem CID58254769
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name3-benzyl-3-methylpyrrolidine
SMILESCC1(Cc2ccccc2)CCNC1
InChIInChI=1S/C12H17N/c1-12(7-8-13-10-12)9-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3
InChIKeyOIPKYGFIHKAGAC-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzylpyrrolidin-3-ol;hydrochloride
CID 122508012
5-benzyl-5-methylpiperidin-2-one
CID 102737184
4-benzyl-4-fluoropiperidine;ethane
CID 154662481
(3-benzylpyrrolidin-3-yl)methanamine
CID 142188778
2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
CID 63143249
N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-1-phenylmethanamine
CID 63122886
2-fluoro-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]pyridine
CID 135135104
6-methyl-6-[(4-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 82479646
3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine
CID 120903903
N-methyl-1-(3-methylpyrrolidin-3-yl)-N-[(1-phenylcyclopropyl)methyl]methanamine;hydrochloride
CID 120904384
3-methyl-3-phenylpyrrolidine
CID 21098616
1-benzyl-N,3,5-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 120901766

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-methylpyrrolidine?
The IUPAC name of 3-benzyl-3-methylpyrrolidine (CID 58254769) is 3-benzyl-3-methylpyrrolidine.
What is the SMILES notation for 3-benzyl-3-methylpyrrolidine?
The canonical SMILES for 3-benzyl-3-methylpyrrolidine is CC1(Cc2ccccc2)CCNC1.
What is the InChIKey of 3-benzyl-3-methylpyrrolidine?
The InChIKey is OIPKYGFIHKAGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-12(7-8-13-10-12)9-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3.
What are the key properties of 3-benzyl-3-methylpyrrolidine?
3-benzyl-3-methylpyrrolidine has a molecular weight of 175.28 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-methylpyrrolidine is sourced from PubChem (CID 58254769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).