4-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C15H27F3N2O — CID 102628517

IUPAC4-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C15H27F3N2O/c1-5-8-20(9-15(16,17)18)13(21)11-6-7-12(19)10(2)14(11,3)4/h10-12H,5-9,19H2,1-4H3
InChIKeyVWHPMBLXPUSMRY-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.19
Rot. Bonds4

About 4-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

4-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 102628517) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID102628517
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name4-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C15H27F3N2O/c1-5-8-20(9-15(16,17)18)13(21)11-6-7-12(19)10(2)14(11,3)4/h10-12H,5-9,19H2,1-4H3
InChIKeyVWHPMBLXPUSMRY-UHFFFAOYSA-N
XLogP3.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-2,2,3-trimethyl-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

Related Compounds

4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 54871267
4-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 54871305
4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 54871737
4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 55009030
4-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 55116571
4-amino-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 55116573
2-(4-aminocyclohexyl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 55116621
2-amino-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 55116622
4-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 55116672
4-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 55116720
4-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 55117054
3-(4-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 55117056

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 102628517) is 4-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CCCN(CC(F)(F)F)C(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is VWHPMBLXPUSMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-5-8-20(9-15(16,17)18)13(21)11-6-7-12(19)10(2)14(11,3)4/h10-12H,5-9,19H2,1-4H3.
What are the key properties of 4-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
4-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102628517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).