2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine

C12H20F3N3 — CID 113326667

IUPAC2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nccn1CCCC(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-11(2,3)17-9-10-16-6-8-18(10)7-4-5-12(13,14)15/h6,8,17H,4-5,7,9H2,1-3H3
InChIKeyIGLBYLRFPRDCBJ-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.11
Rot. Bonds5

About 2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine (PubChem CID 113326667) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine
PubChem CID113326667
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nccn1CCCC(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-11(2,3)17-9-10-16-6-8-18(10)7-4-5-12(13,14)15/h6,8,17H,4-5,7,9H2,1-3H3
InChIKeyIGLBYLRFPRDCBJ-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(tert-butylamino)methyl]imidazol-1-yl]butanenitrile
CID 62221300
N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65097886
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine
CID 113327188
2-methyl-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-2-yl]methyl]propan-2-amine
CID 82891583
N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222189
N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62221842
N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine
CID 106579152
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036
N-[[1-(ethoxymethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65369489
N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114930890
6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol
CID 116535799

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine (CID 113326667) is 2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1nccn1CCCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is IGLBYLRFPRDCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-11(2,3)17-9-10-16-6-8-18(10)7-4-5-12(13,14)15/h6,8,17H,4-5,7,9H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine has a molecular weight of 263.31 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 113326667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).