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

C12H18F3N3 — CID 62743466

IUPACN-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1ncc(CNC2CCCCC2C(F)(F)F)[nH]1
InChIInChI=1S/C12H18F3N3/c1-8-16-6-9(18-8)7-17-11-5-3-2-4-10(11)12(13,14)15/h6,10-11,17H,2-5,7H2,1H3,(H,16,18)
InChIKeyUDAQURDIFUTXSK-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.93
Rot. Bonds3

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

N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 62743466) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID62743466
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1ncc(CNC2CCCCC2C(F)(F)F)[nH]1
InChIInChI=1S/C12H18F3N3/c1-8-16-6-9(18-8)7-17-11-5-3-2-4-10(11)12(13,14)15/h6,10-11,17H,2-5,7H2,1H3,(H,16,18)
InChIKeyUDAQURDIFUTXSK-UHFFFAOYSA-N
XLogP2.93
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 43650966
(1R,2R,3R,5S)-2,6,6-trimethyl-N-[[2-(2-methylpropyl)-1H-imidazol-5-yl]methyl]bicyclo[3.1.1]heptan-3-amine
CID 127040587
(1R,2R,3R,5S)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 127041194
(1R,2R,3R,5S)-N-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 127041196
2-(2-cyclohexyl-1H-imidazol-5-yl)ethanamine
CID 11074267
(1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine
CID 127038552
(1R,2R,3R,5S)-N-[(2-butyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 127040886
(1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine
CID 127041193
4-(5-(trifluoromethyl)-1H-imidazol-2-yl)piperidine dihydrochloride
CID 132342161
1-(1H-imidazol-4-ylmethyl)-4-[1-(1-pyrrolidinyl)ethyl]piperidine
CID 70717894
2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 119043941
1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 124554059

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 62743466) is N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is Cc1ncc(CNC2CCCCC2C(F)(F)F)[nH]1.
What is the InChIKey of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is UDAQURDIFUTXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8-16-6-9(18-8)7-17-11-5-3-2-4-10(11)12(13,14)15/h6,10-11,17H,2-5,7H2,1H3,(H,16,18).
What are the key properties of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 62743466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).