1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoro-N-methylethanamine

C9H12F3N3 — CID 66205152

IUPAC1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(c1cncn1C1CC1)C(F)(F)F
InChIInChI=1S/C9H12F3N3/c1-13-8(9(10,11)12)7-4-14-5-15(7)6-2-3-6/h4-6,8,13H,2-3H2,1H3
InChIKeyRCZNCFNAIMQXSF-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.04
Rot. Bonds3

About 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoro-N-methylethanamine

1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoro-N-methylethanamine (PubChem CID 66205152) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoro-N-methylethanamine
PubChem CID66205152
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(c1cncn1C1CC1)C(F)(F)F
InChIInChI=1S/C9H12F3N3/c1-13-8(9(10,11)12)7-4-14-5-15(7)6-2-3-6/h4-6,8,13H,2-3H2,1H3
InChIKeyRCZNCFNAIMQXSF-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine
CID 66140665
2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid
CID 66140041
1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol
CID 66142466
1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol
CID 66141454
(3-cyclopropylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782171
3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol
CID 79126294
2-methyl-1-[3-(4-methylcyclohexyl)imidazol-4-yl]propan-1-amine
CID 102969473
tert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate
CID 114986138
1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine
CID 66141019
2-(3-cyclopropylimidazol-4-yl)-2-(propylamino)ethanol
CID 66141261
1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol
CID 79567273
1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine
CID 66141826

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoro-N-methylethanamine (CID 66205152) is 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoro-N-methylethanamine is CNC(c1cncn1C1CC1)C(F)(F)F.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is RCZNCFNAIMQXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-13-8(9(10,11)12)7-4-14-5-15(7)6-2-3-6/h4-6,8,13H,2-3H2,1H3.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoro-N-methylethanamine?
1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 219.21 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 66205152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).