N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine

C11H16F3N3 — CID 62761586

IUPACN-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCc2cnc[nH]2)C1
InChIInChI=1S/C11H16F3N3/c12-11(13,14)8-2-1-3-9(4-8)16-6-10-5-15-7-17-10/h5,7-9,16H,1-4,6H2,(H,15,17)
InChIKeyDJVHEQMDIUWYTC-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.62
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine

N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 62761586) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID62761586
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC NameN-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCc2cnc[nH]2)C1
InChIInChI=1S/C11H16F3N3/c12-11(13,14)8-2-1-3-9(4-8)16-6-10-5-15-7-17-10/h5,7-9,16H,1-4,6H2,(H,15,17)
InChIKeyDJVHEQMDIUWYTC-UHFFFAOYSA-N
XLogP2.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 43650966
2-(2-cyclohexyl-1H-imidazol-5-yl)ethanamine
CID 11074267
1-(1H-imidazol-4-ylmethyl)-4-[1-(1-pyrrolidinyl)ethyl]piperidine
CID 70717894
1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 124554059
N-butyl-N-(1H-imidazol-4-ylmethyl)cycloheptanamine
CID 131928643
5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole
CID 15002822
5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole;hydrochloride
CID 19805604
2-cyclohexyl-5-methyl-1H-imidazole
CID 22998702
4-[4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 43650706
4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidine
CID 61029366
3-[fluoro(1H-imidazol-5-yl)methyl]-3-azaspiro[5.5]undecane
CID 67009950
5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazol-2-amine
CID 68593433

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 62761586) is N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCC(NCc2cnc[nH]2)C1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is DJVHEQMDIUWYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c12-11(13,14)8-2-1-3-9(4-8)16-6-10-5-15-7-17-10/h5,7-9,16H,1-4,6H2,(H,15,17).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 247.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 62761586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).