3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine

C11H17F4N3 — CID 114169292

IUPAC3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine
SMILESCC(C)C(CN)c1cncn1CC(F)(F)C(F)F
InChIInChI=1S/C11H17F4N3/c1-7(2)8(3-16)9-4-17-6-18(9)5-11(14,15)10(12)13/h4,6-8,10H,3,5,16H2,1-2H3
InChIKeyHRSAIXNCJDBTFF-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.48
Rot. Bonds6

About 3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine

3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine (PubChem CID 114169292) has the molecular formula C11H17F4N3 and a molecular weight of 267.27 g/mol. Its IUPAC name is 3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine
PubChem CID114169292
Molecular FormulaC11H17F4N3
Molecular Weight267.27 g/mol
Exact Mass267.14
IUPAC Name3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine
SMILESCC(C)C(CN)c1cncn1CC(F)(F)C(F)F
InChIInChI=1S/C11H17F4N3/c1-7(2)8(3-16)9-4-17-6-18(9)5-11(14,15)10(12)13/h4,6-8,10H,3,5,16H2,1-2H3
InChIKeyHRSAIXNCJDBTFF-UHFFFAOYSA-N
XLogP2.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-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

2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine
CID 107443976
2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444090
2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine
CID 106291716
2-[3-[2-(difluoromethylsulfanyl)phenyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443932
3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine
CID 107444354
3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine
CID 107444361
2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443913
2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444278
2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 106040953
2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide
CID 107444292
3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine
CID 106212093
(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941818

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine (CID 114169292) is 3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine is CC(C)C(CN)c1cncn1CC(F)(F)C(F)F.
What is the InChIKey of 3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine?
The InChIKey is HRSAIXNCJDBTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4N3/c1-7(2)8(3-16)9-4-17-6-18(9)5-11(14,15)10(12)13/h4,6-8,10H,3,5,16H2,1-2H3.
What are the key properties of 3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine?
3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine has a molecular weight of 267.27 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 114169292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).