5-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C13H23F3N2O — CID 62780934

IUPAC5-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CC(N)CCC1C
InChIInChI=1S/C13H23F3N2O/c1-3-6-18(8-13(14,15)16)12(19)11-7-10(17)5-4-9(11)2/h9-11H,3-8,17H2,1-2H3
InChIKeyQJXNUQNHGZPPJF-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.55
Rot. Bonds4

About 5-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

5-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 62780934) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID62780934
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name5-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CC(N)CCC1C
InChIInChI=1S/C13H23F3N2O/c1-3-6-18(8-13(14,15)16)12(19)11-7-10(17)5-4-9(11)2/h9-11H,3-8,17H2,1-2H3
InChIKeyQJXNUQNHGZPPJF-UHFFFAOYSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-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 5-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 5-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 62780934) is 5-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CCCN(CC(F)(F)F)C(=O)C1CC(N)CCC1C.
What is the InChIKey of 5-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is QJXNUQNHGZPPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-3-6-18(8-13(14,15)16)12(19)11-7-10(17)5-4-9(11)2/h9-11H,3-8,17H2,1-2H3.
What are the key properties of 5-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
5-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62780934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).