N-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine

C10H16F3N3 — CID 106579122

IUPACN-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine
SMILESCCNc1nc(C)cn1CCCC(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-3-14-9-15-8(2)7-16(9)6-4-5-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyKXOPFTVABHVFLK-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.97
Rot. Bonds5

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

N-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine (PubChem CID 106579122) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine
PubChem CID106579122
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC NameN-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine
SMILESCCNc1nc(C)cn1CCCC(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-3-14-9-15-8(2)7-16(9)6-4-5-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyKXOPFTVABHVFLK-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine
CID 106579279
1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine
CID 106571611
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine
CID 106579134
1-(2,2-dimethylpropyl)-N-ethyl-4-methylimidazol-2-amine
CID 106563656
N-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine
CID 106581380
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
1-hexyl-N,4-dimethylimidazol-2-amine
CID 106573791
N-ethyl-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazol-2-amine
CID 106573703
1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine
CID 106573359
N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583247
N-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106583265

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine (CID 106579122) is N-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine is CCNc1nc(C)cn1CCCC(F)(F)F.
What is the InChIKey of N-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine?
The InChIKey is KXOPFTVABHVFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-3-14-9-15-8(2)7-16(9)6-4-5-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine?
N-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine has a molecular weight of 235.25 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine is sourced from PubChem (CID 106579122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).