1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine

C11H21N3 — CID 103466374

IUPAC1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine
SMILESCCC(C)(C)Cn1cncc1CNC
InChIInChI=1S/C11H21N3/c1-5-11(2,3)8-14-9-13-7-10(14)6-12-4/h7,9,12H,5-6,8H2,1-4H3
InChIKeyWCMWKZIDRUYEPR-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.04
Rot. Bonds5

About 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine

1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine (PubChem CID 103466374) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine
PubChem CID103466374
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine
SMILESCCC(C)(C)Cn1cncc1CNC
InChIInChI=1S/C11H21N3/c1-5-11(2,3)8-14-9-13-7-10(14)6-12-4/h7,9,12H,5-6,8H2,1-4H3
InChIKeyWCMWKZIDRUYEPR-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(2,2-dimethylbutyl)imidazol-4-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-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine (CID 103466374) is 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine is CCC(C)(C)Cn1cncc1CNC.
What is the InChIKey of 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine?
The InChIKey is WCMWKZIDRUYEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-11(2,3)8-14-9-13-7-10(14)6-12-4/h7,9,12H,5-6,8H2,1-4H3.
What are the key properties of 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine?
1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 103466374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).