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

C13H23F3N2O — CID 102628479

IUPAC4-amino-N,2,2,3-tetramethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)N(C)CC(F)(F)F)C1(C)C
InChIInChI=1S/C13H23F3N2O/c1-8-10(17)6-5-9(12(8,2)3)11(19)18(4)7-13(14,15)16/h8-10H,5-7,17H2,1-4H3
InChIKeyYVNVFCTZINZDNI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.41
Rot. Bonds2

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

4-amino-N,2,2,3-tetramethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 102628479) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-amino-N,2,2,3-tetramethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N,2,2,3-tetramethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID102628479
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name4-amino-N,2,2,3-tetramethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)N(C)CC(F)(F)F)C1(C)C
InChIInChI=1S/C13H23F3N2O/c1-8-10(17)6-5-9(12(8,2)3)11(19)18(4)7-13(14,15)16/h8-10H,5-7,17H2,1-4H3
InChIKeyYVNVFCTZINZDNI-UHFFFAOYSA-N
XLogP2.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-N,2,2,3-tetramethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N,2,2,3-tetramethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 102628479) is 4-amino-N,2,2,3-tetramethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N,2,2,3-tetramethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N,2,2,3-tetramethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)N(C)CC(F)(F)F)C1(C)C.
What is the InChIKey of 4-amino-N,2,2,3-tetramethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is YVNVFCTZINZDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-8-10(17)6-5-9(12(8,2)3)11(19)18(4)7-13(14,15)16/h8-10H,5-7,17H2,1-4H3.
What are the key properties of 4-amino-N,2,2,3-tetramethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
4-amino-N,2,2,3-tetramethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,2,2,3-tetramethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102628479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).