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

C15H25F3N2O — CID 102628709

IUPAC4-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)N(CC(F)(F)F)C2CC2)C1(C)C
InChIInChI=1S/C15H25F3N2O/c1-9-12(19)7-6-11(14(9,2)3)13(21)20(10-4-5-10)8-15(16,17)18/h9-12H,4-8,19H2,1-3H3
InChIKeyTYWDZHWXPSLMTF-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.94
Rot. Bonds3

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

4-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 102628709) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID102628709
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name4-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)N(CC(F)(F)F)C2CC2)C1(C)C
InChIInChI=1S/C15H25F3N2O/c1-9-12(19)7-6-11(14(9,2)3)13(21)20(10-4-5-10)8-15(16,17)18/h9-12H,4-8,19H2,1-3H3
InChIKeyTYWDZHWXPSLMTF-UHFFFAOYSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 55009081
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-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
4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 60940206
5-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 62780934
2-amino-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 62780935
2-(3-aminocyclohexyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 62781097
3-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 62781211

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 102628709) is 4-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)N(CC(F)(F)F)C2CC2)C1(C)C.
What is the InChIKey of 4-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is TYWDZHWXPSLMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-9-12(19)7-6-11(14(9,2)3)13(21)20(10-4-5-10)8-15(16,17)18/h9-12H,4-8,19H2,1-3H3.
What are the key properties of 4-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
4-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102628709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).