6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide

C11H21F3N2O — CID 113327466

IUPAC6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide
SMILESCC(CCN)CCC(=O)NCCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-9(5-7-15)3-4-10(17)16-8-2-6-11(12,13)14/h9H,2-8,15H2,1H3,(H,16,17)
InChIKeyMKHXNYULELQJNQ-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.21
Rot. Bonds8

About 6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide

6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide (PubChem CID 113327466) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide.

Molecular Properties

Compound Name6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide
PubChem CID113327466
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide
SMILESCC(CCN)CCC(=O)NCCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-9(5-7-15)3-4-10(17)16-8-2-6-11(12,13)14/h9H,2-8,15H2,1H3,(H,16,17)
InChIKeyMKHXNYULELQJNQ-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 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 ≤ 52.21
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

4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide
CID 115519191
7,7,7-trifluoro-3-methylheptan-1-amine
CID 116536083
5-amino-N-(3,3,3-trifluoropropyl)hexanamide
CID 82851486
2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate
CID 83210194
3-methyl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine
CID 115520404
N-(5,5,5-trifluoropentyl)butanamide
CID 115491572
6-amino-4-methyl-N-(2,2,3-trimethylbutyl)hexanamide
CID 114100113
N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide
CID 115514932
6-amino-4,4-dimethyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 65291671
3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide
CID 115519420
2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide
CID 115519305
(2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide
CID 115519316

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide?
The IUPAC name of 6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide (CID 113327466) is 6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide.
What is the SMILES notation for 6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide?
The canonical SMILES for 6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide is CC(CCN)CCC(=O)NCCCC(F)(F)F.
What is the InChIKey of 6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide?
The InChIKey is MKHXNYULELQJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9(5-7-15)3-4-10(17)16-8-2-6-11(12,13)14/h9H,2-8,15H2,1H3,(H,16,17).
What are the key properties of 6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide?
6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide has a molecular weight of 254.30 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide is sourced from PubChem (CID 113327466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).