4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine

C12H20F3N3 — CID 106579279

IUPAC4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine
SMILESCCCNc1nc(C)cn1CCCCC(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-3-7-16-11-17-10(2)9-18(11)8-5-4-6-12(13,14)15/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyOAHVOZUJKPUEFY-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.75
Rot. Bonds7

About 4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine

4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine (PubChem CID 106579279) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is 4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine
PubChem CID106579279
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine
SMILESCCCNc1nc(C)cn1CCCCC(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-3-7-16-11-17-10(2)9-18(11)8-5-4-6-12(13,14)15/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyOAHVOZUJKPUEFY-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine
CID 106571611
N-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine
CID 106579122
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine
CID 106557292
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine
CID 106579134
4-methyl-N-propyl-1-(2-pyridin-4-ylethyl)imidazol-2-amine
CID 106563289
N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine
CID 106563654
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
1-hexyl-N,4-dimethylimidazol-2-amine
CID 106573791
N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576454
4-methyl-1-(3-phenylbutyl)-N-propylimidazol-2-amine
CID 106572132

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine?
The IUPAC name of 4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine (CID 106579279) is 4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine?
The canonical SMILES for 4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine is CCCNc1nc(C)cn1CCCCC(F)(F)F.
What is the InChIKey of 4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine?
The InChIKey is OAHVOZUJKPUEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-3-7-16-11-17-10(2)9-18(11)8-5-4-6-12(13,14)15/h9H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine?
4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine has a molecular weight of 263.31 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine is sourced from PubChem (CID 106579279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).