2-(4,5-dimethylimidazol-1-yl)-1,1,1-trifluoropentan-3-amine

C10H16F3N3 — CID 62351952

IUPAC2-(4,5-dimethylimidazol-1-yl)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(n1cnc(C)c1C)C(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-4-8(14)9(10(11,12)13)16-5-15-6(2)7(16)3/h5,8-9H,4,14H2,1-3H3
InChIKeyUGUQQTIRTQSMPO-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.34
Rot. Bonds3

About 2-(4,5-dimethylimidazol-1-yl)-1,1,1-trifluoropentan-3-amine

2-(4,5-dimethylimidazol-1-yl)-1,1,1-trifluoropentan-3-amine (PubChem CID 62351952) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-1,1,1-trifluoropentan-3-amine.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-1,1,1-trifluoropentan-3-amine
PubChem CID62351952
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(n1cnc(C)c1C)C(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-4-8(14)9(10(11,12)13)16-5-15-6(2)7(16)3/h5,8-9H,4,14H2,1-3H3
InChIKeyUGUQQTIRTQSMPO-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4,5-dimethylimidazol-1-yl)-1,1,1-trifluoropentan-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

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-1,1,1-trifluoropentan-3-amine?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-1,1,1-trifluoropentan-3-amine (CID 62351952) is 2-(4,5-dimethylimidazol-1-yl)-1,1,1-trifluoropentan-3-amine.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-1,1,1-trifluoropentan-3-amine?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-1,1,1-trifluoropentan-3-amine is CCC(N)C(n1cnc(C)c1C)C(F)(F)F.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-1,1,1-trifluoropentan-3-amine?
The InChIKey is UGUQQTIRTQSMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-4-8(14)9(10(11,12)13)16-5-15-6(2)7(16)3/h5,8-9H,4,14H2,1-3H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-1,1,1-trifluoropentan-3-amine?
2-(4,5-dimethylimidazol-1-yl)-1,1,1-trifluoropentan-3-amine has a molecular weight of 235.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-1,1,1-trifluoropentan-3-amine is sourced from PubChem (CID 62351952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).