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

C11H19F3N2O — CID 113310434

IUPAC1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-8-2-4-10(6-15,5-3-8)9(17)16-7-11(12,13)14/h8H,2-7,15H2,1H3,(H,16,17)
InChIKeyCLYBZISVRKIUDX-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.82
Rot. Bonds3

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

1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 113310434) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID113310434
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-8-2-4-10(6-15,5-3-8)9(17)16-7-11(12,13)14/h8H,2-7,15H2,1H3,(H,16,17)
InChIKeyCLYBZISVRKIUDX-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 113310434) is 1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is CLYBZISVRKIUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-8-2-4-10(6-15,5-3-8)9(17)16-7-11(12,13)14/h8H,2-7,15H2,1H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 113310434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).