N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine

C14H22F3N3 — CID 105149558

IUPACN-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(c1nccn1C)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H22F3N3/c1-3-18-12(13-19-8-9-20(13)2)10-6-4-5-7-11(10)14(15,16)17/h8-12,18H,3-7H2,1-2H3
InChIKeyAGNFPFQAYOHAOW-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.44
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine

N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine (PubChem CID 105149558) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
PubChem CID105149558
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC NameN-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(c1nccn1C)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H22F3N3/c1-3-18-12(13-19-8-9-20(13)2)10-6-4-5-7-11(10)14(15,16)17/h8-12,18H,3-7H2,1-2H3
InChIKeyAGNFPFQAYOHAOW-UHFFFAOYSA-N
XLogP3.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine
CID 80603968
N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105146207
2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105167192
N-[(4-bromo-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105189747
N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65399979
2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105165968
N-[(1,1-dioxothian-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 115858962
N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115860068
N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine
CID 63200047
2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64929623
1-(1,1-dioxothian-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 115860039
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
CID 79050671

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine (CID 105149558) is N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine is CCNC(c1nccn1C)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is AGNFPFQAYOHAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-3-18-12(13-19-8-9-20(13)2)10-6-4-5-7-11(10)14(15,16)17/h8-12,18H,3-7H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 289.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 105149558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).