1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine

C11H18F3N3 — CID 106571611

IUPAC1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine
SMILESCCCCn1cc(C)nc1NCCC(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-3-4-7-17-8-9(2)16-10(17)15-6-5-11(12,13)14/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyVECRUEMTAFWFMD-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.36
Rot. Bonds6

About 1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine

1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine (PubChem CID 106571611) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine
PubChem CID106571611
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine
SMILESCCCCn1cc(C)nc1NCCC(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-3-4-7-17-8-9(2)16-10(17)15-6-5-11(12,13)14/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyVECRUEMTAFWFMD-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-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

4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine
CID 106579279
N-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine
CID 106579122
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571787
1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582355
1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine
CID 106569258
N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine
CID 106563654
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576454
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine
CID 106570045

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine?
The IUPAC name of 1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine (CID 106571611) is 1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine.
What is the SMILES notation for 1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine?
The canonical SMILES for 1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine is CCCCn1cc(C)nc1NCCC(F)(F)F.
What is the InChIKey of 1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine?
The InChIKey is VECRUEMTAFWFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-3-4-7-17-8-9(2)16-10(17)15-6-5-11(12,13)14/h8H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine?
1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine has a molecular weight of 249.28 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine is sourced from PubChem (CID 106571611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).