1-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C13H23F3N2O — CID 54871217

IUPAC1-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1(N)CCCCC1
InChIInChI=1S/C13H23F3N2O/c1-2-3-9-18(10-13(14,15)16)11(19)12(17)7-5-4-6-8-12/h2-10,17H2,1H3
InChIKeyRVJBHMVGWSVRNG-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.84
Rot. Bonds5

About 1-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

1-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 54871217) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID54871217
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name1-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1(N)CCCCC1
InChIInChI=1S/C13H23F3N2O/c1-2-3-9-18(10-13(14,15)16)11(19)12(17)7-5-4-6-8-12/h2-10,17H2,1H3
InChIKeyRVJBHMVGWSVRNG-UHFFFAOYSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-amino-N-butyl-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 1-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 54871217) is 1-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is RVJBHMVGWSVRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-2-3-9-18(10-13(14,15)16)11(19)12(17)7-5-4-6-8-12/h2-10,17H2,1H3.
What are the key properties of 1-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
1-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 54871217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).