2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide

C11H21F3N2O — CID 115325811

IUPAC2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CCCCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-9(2)5-3-4-6-15-7-10(17)16-8-11(12,13)14/h9,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyGNBMMNVVHGMYET-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.08
Rot. Bonds8

About 2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 115325811) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID115325811
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CCCCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-9(2)5-3-4-6-15-7-10(17)16-8-11(12,13)14/h9,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyGNBMMNVVHGMYET-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106841650
2-(5-methylhexylamino)-N-propylacetamide
CID 115325791
4-methyl-6-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]hexanoic acid
CID 65287156
2-(7-methyloctylamino)-N-propan-2-ylacetamide
CID 103604939
N-(7-methyloctyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 114004195
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688
N-(8-methylnonyl)-2-(2-methylpropylamino)acetamide
CID 156546991
2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 66091400
3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoic acid
CID 43466550
2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 114110989
2-(5-methylhexylamino)acetamide
CID 115325450
2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 102698001

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 115325811) is 2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CCCCNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GNBMMNVVHGMYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9(2)5-3-4-6-15-7-10(17)16-8-11(12,13)14/h9,15H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 254.30 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 115325811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).