1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine

C17H28N2 — CID 117017829

IUPAC1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2c(C)cc(C)cc2C)C1(C)C
InChIInChI=1S/C17H28N2/c1-12-9-13(2)16(14(3)10-12)19-8-7-15(11-18-6)17(19,4)5/h9-10,15,18H,7-8,11H2,1-6H3
InChIKeyBRYUKCVKXUJXKR-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.44
Rot. Bonds3

About 1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine

1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 117017829) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID117017829
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2c(C)cc(C)cc2C)C1(C)C
InChIInChI=1S/C17H28N2/c1-12-9-13(2)16(14(3)10-12)19-8-7-15(11-18-6)17(19,4)5/h9-10,15,18H,7-8,11H2,1-6H3
InChIKeyBRYUKCVKXUJXKR-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine (CID 117017829) is 1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(c2c(C)cc(C)cc2C)C1(C)C.
What is the InChIKey of 1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is BRYUKCVKXUJXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-9-13(2)16(14(3)10-12)19-8-7-15(11-18-6)17(19,4)5/h9-10,15,18H,7-8,11H2,1-6H3.
What are the key properties of 1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 117017829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).