1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide

C13H24F2N2O2 — CID 107479421

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)N(CCO)CC(F)F)CC1
InChIInChI=1S/C13H24F2N2O2/c1-10-2-4-13(9-16,5-3-10)12(19)17(6-7-18)8-11(14)15/h10-11,18H,2-9,16H2,1H3
InChIKeyFMXYALHTRJGJHC-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.23
Rot. Bonds6

About 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 107479421) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide
PubChem CID107479421
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)N(CCO)CC(F)F)CC1
InChIInChI=1S/C13H24F2N2O2/c1-10-2-4-13(9-16,5-3-10)12(19)17(6-7-18)8-11(14)15/h10-11,18H,2-9,16H2,1H3
InChIKeyFMXYALHTRJGJHC-UHFFFAOYSA-N
XLogP1.23
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide (CID 107479421) is 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)N(CCO)CC(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is FMXYALHTRJGJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-10-2-4-13(9-16,5-3-10)12(19)17(6-7-18)8-11(14)15/h10-11,18H,2-9,16H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 107479421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).