1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine

C9H12F3N3 — CID 60867130

IUPAC1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine
SMILESFC(F)(F)c1cnc(CNCC2CC2)[nH]1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)7-4-14-8(15-7)5-13-3-6-1-2-6/h4,6,13H,1-3,5H2,(H,14,15)
InChIKeyDFWATFLGJBNYGO-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.93
Rot. Bonds4

About 1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine

1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine (PubChem CID 60867130) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine
PubChem CID60867130
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine
SMILESFC(F)(F)c1cnc(CNCC2CC2)[nH]1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)7-4-14-8(15-7)5-13-3-6-1-2-6/h4,6,13H,1-3,5H2,(H,14,15)
InChIKeyDFWATFLGJBNYGO-UHFFFAOYSA-N
XLogP1.93
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine (CID 60867130) is 1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine is FC(F)(F)c1cnc(CNCC2CC2)[nH]1.
What is the InChIKey of 1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine?
The InChIKey is DFWATFLGJBNYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c10-9(11,12)7-4-14-8(15-7)5-13-3-6-1-2-6/h4,6,13H,1-3,5H2,(H,14,15).
What are the key properties of 1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine?
1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine has a molecular weight of 219.21 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine is sourced from PubChem (CID 60867130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).