N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

C12H18F3N3 — CID 55114403

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1[nH]cnc1CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H18F3N3/c1-8-11(18-7-17-8)6-16-10-4-2-3-9(5-10)12(13,14)15/h7,9-10,16H,2-6H2,1H3,(H,17,18)
InChIKeyNWMNCWWBKAMOOV-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.93
Rot. Bonds3

About N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 55114403) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID55114403
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1[nH]cnc1CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H18F3N3/c1-8-11(18-7-17-8)6-16-10-4-2-3-9(5-10)12(13,14)15/h7,9-10,16H,2-6H2,1H3,(H,17,18)
InChIKeyNWMNCWWBKAMOOV-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

(1R,2R,3R,5S)-2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine
CID 127038896
N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine
CID 42776872
1-cyano-2-methyl-3-[2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methylamino]ethyl]guanidine
CID 57180390
N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 55109169
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 55114498
N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 55114840
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 62741436
N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 62742286
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 62742287
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 62743466
2,2,2-trifluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 62747610
N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 62761586

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 55114403) is N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is Cc1[nH]cnc1CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is NWMNCWWBKAMOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8-11(18-7-17-8)6-16-10-4-2-3-9(5-10)12(13,14)15/h7,9-10,16H,2-6H2,1H3,(H,17,18).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(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-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 55114403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).