1-(aminomethyl)-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C13H23F3N2O2 — CID 115441783

IUPAC1-(aminomethyl)-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)N(CCO)CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-10-2-4-12(8-17,5-3-10)11(20)18(6-7-19)9-13(14,15)16/h10,19H,2-9,17H2,1H3
InChIKeyQUBGEVYBVZVQJE-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.52
Rot. Bonds5

About 1-(aminomethyl)-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 115441783) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID115441783
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name1-(aminomethyl)-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)N(CCO)CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-10-2-4-12(8-17,5-3-10)11(20)18(6-7-19)9-13(14,15)16/h10,19H,2-9,17H2,1H3
InChIKeyQUBGEVYBVZVQJE-UHFFFAOYSA-N
XLogP1.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 115441783) is 1-(aminomethyl)-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)N(CCO)CC(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is QUBGEVYBVZVQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-10-2-4-12(8-17,5-3-10)11(20)18(6-7-19)9-13(14,15)16/h10,19H,2-9,17H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115441783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).