2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide

C11H21F3N2O2 — CID 82957965

IUPAC2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide
SMILESCNC(C)(CCCCOCCC(F)(F)F)C(N)=O
InChIInChI=1S/C11H21F3N2O2/c1-10(16-2,9(15)17)5-3-4-7-18-8-6-11(12,13)14/h16H,3-8H2,1-2H3,(H2,15,17)
InChIKeySMXQCRFMVPDOOS-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.59
Rot. Bonds9

About 2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide

2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide (PubChem CID 82957965) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide
PubChem CID82957965
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide
SMILESCNC(C)(CCCCOCCC(F)(F)F)C(N)=O
InChIInChI=1S/C11H21F3N2O2/c1-10(16-2,9(15)17)5-3-4-7-18-8-6-11(12,13)14/h16H,3-8H2,1-2H3,(H2,15,17)
InChIKeySMXQCRFMVPDOOS-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.59
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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Related Compounds

5-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)pentanamide
CID 104565427
2-methyl-2-(methylamino)-5-(4,4,4-trifluorobutoxy)pentanoic acid
CID 82793311
4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)butanamide
CID 106204321
2-methyl-2-(methylamino)heptanamide
CID 80557436
2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide
CID 112589029
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexanoic acid
CID 82783636
6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide
CID 116535472
5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide
CID 63007906
2-(ethylamino)-6-[2-(2-methoxyethoxy)ethoxy]-2-methylhexanamide
CID 104565452
5-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106666736
2-methyl-2-(methylamino)-5-(2-methylpentoxy)pentanamide
CID 103284845
3-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(methylamino)propanamide
CID 103180146

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide?
The IUPAC name of 2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide (CID 82957965) is 2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide is CNC(C)(CCCCOCCC(F)(F)F)C(N)=O.
What is the InChIKey of 2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide?
The InChIKey is SMXQCRFMVPDOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-10(16-2,9(15)17)5-3-4-7-18-8-6-11(12,13)14/h16H,3-8H2,1-2H3,(H2,15,17).
What are the key properties of 2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide?
2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide has a molecular weight of 270.29 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide is sourced from PubChem (CID 82957965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).