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

C13H23F3N2O — CID 64822616

IUPAC2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCCCC1N
InChIInChI=1S/C13H23F3N2O/c1-2-3-8-18(9-13(14,15)16)12(19)10-6-4-5-7-11(10)17/h10-11H,2-9,17H2,1H3
InChIKeyBPCPIIMKRIFUCW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.69
Rot. Bonds5

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

2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 64822616) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID64822616
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCCCC1N
InChIInChI=1S/C13H23F3N2O/c1-2-3-8-18(9-13(14,15)16)12(19)10-6-4-5-7-11(10)17/h10-11H,2-9,17H2,1H3
InChIKeyBPCPIIMKRIFUCW-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-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

Related Compounds

4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66239061
2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975228
2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 65453779
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66009798
2-amino-N-ethyl-N-propylcyclohexane-1-carboxamide
CID 62777516
6-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60949932
(1S,6R)-6-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962177
N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78868725
2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide
CID 65456425
N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 107067711
2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55011705
cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide
CID 97051119

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 64822616) is 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is BPCPIIMKRIFUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-2-3-8-18(9-13(14,15)16)12(19)10-6-4-5-7-11(10)17/h10-11H,2-9,17H2,1H3.
What are the key properties of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64822616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).