3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine

C12H18F3N3 — CID 106212093

IUPAC3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine
SMILESCC(C)C(CN)c1cncn1C1(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3N3/c1-8(2)9(5-16)10-6-17-7-18(10)11(3-4-11)12(13,14)15/h6-9H,3-5,16H2,1-2H3
InChIKeyVDLFYQQFJBJRTL-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.63
Rot. Bonds4

About 3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine

3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine (PubChem CID 106212093) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine
PubChem CID106212093
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine
SMILESCC(C)C(CN)c1cncn1C1(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3N3/c1-8(2)9(5-16)10-6-17-7-18(10)11(3-4-11)12(13,14)15/h6-9H,3-5,16H2,1-2H3
InChIKeyVDLFYQQFJBJRTL-UHFFFAOYSA-N
XLogP2.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine
CID 106212111
(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine
CID 106212137
(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine
CID 106212099
2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine
CID 107443976
3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine
CID 114169292
[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol
CID 106216994
3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine
CID 106327217
2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444278
3-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carbaldehyde
CID 106216993
3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine
CID 107444354
3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine
CID 107444389
2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide
CID 107444118

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine (CID 106212093) is 3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine is CC(C)C(CN)c1cncn1C1(C(F)(F)F)CC1.
What is the InChIKey of 3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine?
The InChIKey is VDLFYQQFJBJRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8(2)9(5-16)10-6-17-7-18(10)11(3-4-11)12(13,14)15/h6-9H,3-5,16H2,1-2H3.
What are the key properties of 3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine?
3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 106212093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).