3-amino-2-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide

C11H19F3N2O — CID 55175536

IUPAC3-amino-2-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
SMILESCC1C(N)CCCC1C(=O)NCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-7-8(3-2-4-9(7)15)10(17)16-6-5-11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyNUVUMKGXGJPLEQ-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.82
Rot. Bonds3

About 3-amino-2-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide

3-amino-2-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide (PubChem CID 55175536) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
PubChem CID55175536
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name3-amino-2-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
SMILESCC1C(N)CCCC1C(=O)NCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-7-8(3-2-4-9(7)15)10(17)16-6-5-11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyNUVUMKGXGJPLEQ-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-2-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide (CID 55175536) is 3-amino-2-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-2-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-2-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide is CC1C(N)CCCC1C(=O)NCCC(F)(F)F.
What is the InChIKey of 3-amino-2-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The InChIKey is NUVUMKGXGJPLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-7-8(3-2-4-9(7)15)10(17)16-6-5-11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-2-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
3-amino-2-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 3-amino-2-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 55175536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).