4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide

C11H19F3N2O — CID 63231231

IUPAC4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
SMILESCC1CC(C(=O)NCCC(F)(F)F)CCC1N
InChIInChI=1S/C11H19F3N2O/c1-7-6-8(2-3-9(7)15)10(17)16-5-4-11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyBRFXUXLHXXMULU-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.82
Rot. Bonds3

About 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide

4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide (PubChem CID 63231231) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
PubChem CID63231231
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
SMILESCC1CC(C(=O)NCCC(F)(F)F)CCC1N
InChIInChI=1S/C11H19F3N2O/c1-7-6-8(2-3-9(7)15)10(17)16-5-4-11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyBRFXUXLHXXMULU-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-methyl-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 115522308
4-amino-3-methyl-N-(5,5,5-trifluoropentyl)cyclohexane-1-carboxamide
CID 115522321
3-amino-4-methyl-N-(5,5,5-trifluoropentyl)cyclohexane-1-carboxamide
CID 115522320
4-amino-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62782491
4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 63227240
2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate
CID 83215209
4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104766026
4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide
CID 63832217
4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 55139778
4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62782835
4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide
CID 62782736
N-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111999419

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide (CID 63231231) is 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide is CC1CC(C(=O)NCCC(F)(F)F)CCC1N.
What is the InChIKey of 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The InChIKey is BRFXUXLHXXMULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-7-6-8(2-3-9(7)15)10(17)16-5-4-11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63231231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).