6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide

C12H23F3N2O2 — CID 65291287

IUPAC6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide
SMILESCC(C)(CCN)CCC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-11(2,5-6-16)4-3-10(18)17-7-8-19-9-12(13,14)15/h3-9,16H2,1-2H3,(H,17,18)
InChIKeyOPZHQQGQDBVICV-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.84
Rot. Bonds9

About 6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide

6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide (PubChem CID 65291287) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide
PubChem CID65291287
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide
SMILESCC(C)(CCN)CCC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-11(2,5-6-16)4-3-10(18)17-7-8-19-9-12(13,14)15/h3-9,16H2,1-2H3,(H,17,18)
InChIKeyOPZHQQGQDBVICV-UHFFFAOYSA-N
XLogP1.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.84
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

3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 63828602
6-amino-4,4-dimethyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 65291671
4,4-dimethyl-6-[3-(2,2,2-trifluoroethoxy)propanoylamino]hexanoic acid
CID 65284068
6-amino-N-(2-cyclopentyloxyethyl)-4,4-dimethylhexanamide
CID 65291239
6-amino-N-but-3-ynyl-4,4-dimethylhexanamide
CID 65291291
N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide
CID 106308033
6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide
CID 107842588
N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 139430629
tert-butyl N-[2-[2-[2-(3-aminopropanoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 166726831
N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106152917
2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid
CID 65291863
ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate
CID 65290762

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide?
The IUPAC name of 6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide (CID 65291287) is 6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide.
What is the SMILES notation for 6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide?
The canonical SMILES for 6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide is CC(C)(CCN)CCC(=O)NCCOCC(F)(F)F.
What is the InChIKey of 6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide?
The InChIKey is OPZHQQGQDBVICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-11(2,5-6-16)4-3-10(18)17-7-8-19-9-12(13,14)15/h3-9,16H2,1-2H3,(H,17,18).
What are the key properties of 6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide?
6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide has a molecular weight of 284.32 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide is sourced from PubChem (CID 65291287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).