5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C14H25F3N2O — CID 102706640

IUPAC5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)N(CC(F)(F)F)C(C)C)CC1N
InChIInChI=1S/C14H25F3N2O/c1-8(2)19(7-14(15,16)17)13(20)11-6-12(18)10(4)5-9(11)3/h8-12H,5-7,18H2,1-4H3
InChIKeyPRLVIGWYBAQGIH-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.80
Rot. Bonds3

About 5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 102706640) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID102706640
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)N(CC(F)(F)F)C(C)C)CC1N
InChIInChI=1S/C14H25F3N2O/c1-8(2)19(7-14(15,16)17)13(20)11-6-12(18)10(4)5-9(11)3/h8-12H,5-7,18H2,1-4H3
InChIKeyPRLVIGWYBAQGIH-UHFFFAOYSA-N
XLogP2.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

2-[4-[Acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide
CID 121439145
N-(2,3-dimethylcyclohexyl)-2,3,6-trifluoro-4,5-dimethylcyclohexane-1-carboxamide
CID 143001956
5-amino-3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
CID 170709238
5-amino-N-ethyl-3,3-difluorocyclohexane-1-carboxamide
CID 170709259
3,3-difluoro-5-(methylamino)-N-propan-2-ylcyclohexane-1-carboxamide
CID 170709304
4-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 55116571
2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 55116572
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
2-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 55116719

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 102706640) is 5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC1CC(C)C(C(=O)N(CC(F)(F)F)C(C)C)CC1N.
What is the InChIKey of 5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is PRLVIGWYBAQGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-8(2)19(7-14(15,16)17)13(20)11-6-12(18)10(4)5-9(11)3/h8-12H,5-7,18H2,1-4H3.
What are the key properties of 5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102706640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).