N-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine

C8H10F3N3 — CID 90378785

IUPACN-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine
SMILESCNC1(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C8H10F3N3/c1-12-7(2-3-7)6-13-4-5(14-6)8(9,10)11/h4,12H,2-3H2,1H3,(H,13,14)
InChIKeyAQGLBXPGVLPVNR-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.64
Rot. Bonds2

About N-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine

N-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine (PubChem CID 90378785) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is N-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine
PubChem CID90378785
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC NameN-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine
SMILESCNC1(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C8H10F3N3/c1-12-7(2-3-7)6-13-4-5(14-6)8(9,10)11/h4,12H,2-3H2,1H3,(H,13,14)
InChIKeyAQGLBXPGVLPVNR-UHFFFAOYSA-N
XLogP1.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The IUPAC name of N-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine (CID 90378785) is N-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine.
What is the SMILES notation for N-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The canonical SMILES for N-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine is CNC1(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of N-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The InChIKey is AQGLBXPGVLPVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-12-7(2-3-7)6-13-4-5(14-6)8(9,10)11/h4,12H,2-3H2,1H3,(H,13,14).
What are the key properties of N-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
N-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine has a molecular weight of 205.18 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 90378785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).