N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine

C11H18F3N3 — CID 106579152

IUPACN-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine
SMILESCC(C)CNc1nccn1CCCC(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-9(2)8-16-10-15-5-7-17(10)6-3-4-11(12,13)14/h5,7,9H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeySCCGJBJSWDIZLM-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.29
Rot. Bonds6

About N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine

N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine (PubChem CID 106579152) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine
PubChem CID106579152
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC NameN-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine
SMILESCC(C)CNc1nccn1CCCC(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-9(2)8-16-10-15-5-7-17(10)6-3-4-11(12,13)14/h5,7,9H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeySCCGJBJSWDIZLM-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropylpropyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106582547
1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106563373
1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106583506
1-[2-(4-methylcyclohexyl)ethyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106574335
1-butyl-N-(2-methylbutyl)imidazol-2-amine
CID 106570370
2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine
CID 113326667
N-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)imidazol-2-amine
CID 106563117
1-[2-(3-methylcyclohexyl)ethyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106574387
1-[2-(3-methylphenoxy)ethyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106563808
N-(4-methylpentyl)-1-propylimidazol-2-amine
CID 106572167
1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine
CID 106580868
1-(2-methoxyethyl)-N-(3-methyl-2-propan-2-ylbutyl)imidazol-2-amine
CID 106582922

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine (CID 106579152) is N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine is CC(C)CNc1nccn1CCCC(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine?
The InChIKey is SCCGJBJSWDIZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-9(2)8-16-10-15-5-7-17(10)6-3-4-11(12,13)14/h5,7,9H,3-4,6,8H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine?
N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine has a molecular weight of 249.28 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine is sourced from PubChem (CID 106579152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).