3-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide

C12H21F3N2O2 — CID 63832400

IUPAC3-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide
SMILESCC1C(N)CCCC1C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-8-9(3-2-4-10(8)16)11(18)17-5-6-19-7-12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18)
InChIKeyNRAPKNINTFEPGH-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.45
Rot. Bonds5

About 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide

3-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide (PubChem CID 63832400) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide
PubChem CID63832400
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name3-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide
SMILESCC1C(N)CCCC1C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-8-9(3-2-4-10(8)16)11(18)17-5-6-19-7-12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18)
InChIKeyNRAPKNINTFEPGH-UHFFFAOYSA-N
XLogP1.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide (CID 63832400) is 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide is CC1C(N)CCCC1C(=O)NCCOCC(F)(F)F.
What is the InChIKey of 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide?
The InChIKey is NRAPKNINTFEPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-8-9(3-2-4-10(8)16)11(18)17-5-6-19-7-12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide?
3-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63832400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).