1-(1-methylimidazol-2-yl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]ethanamine

C13H19F3N4 — CID 167804390

IUPAC1-(1-methylimidazol-2-yl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]ethanamine
SMILESCC(NC[C@@]12CNC[C@]1(C(F)(F)F)C2)c1nccn1C
InChIInChI=1S/C13H19F3N4/c1-9(10-18-3-4-20(10)2)19-7-11-5-12(11,8-17-6-11)13(14,15)16/h3-4,9,17,19H,5-8H2,1-2H3/t9?,11-,12-/m1/s1
InChIKeyUJOMQWFWJFUOQG-JZXPMDSESA-N
MW288.32 g/mol
LogP1.61
Rot. Bonds4

About 1-(1-methylimidazol-2-yl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]ethanamine

1-(1-methylimidazol-2-yl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]ethanamine (PubChem CID 167804390) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]ethanamine
PubChem CID167804390
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name1-(1-methylimidazol-2-yl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]ethanamine
SMILESCC(NC[C@@]12CNC[C@]1(C(F)(F)F)C2)c1nccn1C
InChIInChI=1S/C13H19F3N4/c1-9(10-18-3-4-20(10)2)19-7-11-5-12(11,8-17-6-11)13(14,15)16/h3-4,9,17,19H,5-8H2,1-2H3/t9?,11-,12-/m1/s1
InChIKeyUJOMQWFWJFUOQG-JZXPMDSESA-N
XLogP1.61
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 115901551
4,4,4-trifluoro-N-[1-(1-methylimidazol-2-yl)ethyl]butan-1-amine
CID 115516455
2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol
CID 104860530
2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
CID 107270667
2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
CID 65104045
2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64929623
3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol
CID 115901187
4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol
CID 103913976
N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 103913887
2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol
CID 66169614
2,2,3,3-tetramethyl-N-[1-(1-methylimidazol-2-yl)ethyl]cyclopropan-1-amine
CID 79352871
N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105149558

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]ethanamine?
The IUPAC name of 1-(1-methylimidazol-2-yl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]ethanamine (CID 167804390) is 1-(1-methylimidazol-2-yl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]ethanamine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]ethanamine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]ethanamine is CC(NC[C@@]12CNC[C@]1(C(F)(F)F)C2)c1nccn1C.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]ethanamine?
The InChIKey is UJOMQWFWJFUOQG-JZXPMDSESA-N. The full InChI is InChI=1S/C13H19F3N4/c1-9(10-18-3-4-20(10)2)19-7-11-5-12(11,8-17-6-11)13(14,15)16/h3-4,9,17,19H,5-8H2,1-2H3/t9?,11-,12-/m1/s1.
What are the key properties of 1-(1-methylimidazol-2-yl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]ethanamine?
1-(1-methylimidazol-2-yl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]ethanamine has a molecular weight of 288.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]ethanamine is sourced from PubChem (CID 167804390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).