1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine

C15H24N2 — CID 117018211

IUPAC1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
SMILESCNC1CN(c2ccc(C)c(C)c2)C(C)(C)C1
InChIInChI=1S/C15H24N2/c1-11-6-7-14(8-12(11)2)17-10-13(16-5)9-15(17,3)4/h6-8,13,16H,9-10H2,1-5H3
InChIKeyUROXAYUPSAHLOR-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.88
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine

1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine (PubChem CID 117018211) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
PubChem CID117018211
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
SMILESCNC1CN(c2ccc(C)c(C)c2)C(C)(C)C1
InChIInChI=1S/C15H24N2/c1-11-6-7-14(8-12(11)2)17-10-13(16-5)9-15(17,3)4/h6-8,13,16H,9-10H2,1-5H3
InChIKeyUROXAYUPSAHLOR-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine 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-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018261
1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine
CID 117020196
1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018258
1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018228
1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine
CID 117021116
N,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine
CID 117018247
8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739961
1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one
CID 117020025
1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol
CID 117017933
1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79397573
1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol
CID 117020892
1-(2,4-dimethylphenyl)-N,6,6-trimethylpiperidin-3-amine
CID 117021094

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine (CID 117018211) is 1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine is CNC1CN(c2ccc(C)c(C)c2)C(C)(C)C1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine?
The InChIKey is UROXAYUPSAHLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-6-7-14(8-12(11)2)17-10-13(16-5)9-15(17,3)4/h6-8,13,16H,9-10H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine?
1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine has a molecular weight of 232.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 117018211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).