4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide

C9H17F3N2O — CID 115519191

IUPAC4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide
SMILESCC(CCN)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-7(3-5-13)8(15)14-6-2-4-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15)
InChIKeyCFQQNQJMLWQZOH-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.43
Rot. Bonds6

About 4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide

4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide (PubChem CID 115519191) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide
PubChem CID115519191
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide
SMILESCC(CCN)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-7(3-5-13)8(15)14-6-2-4-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15)
InChIKeyCFQQNQJMLWQZOH-UHFFFAOYSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.43
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-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide
CID 113327443
6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide
CID 113327466
N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide
CID 115514932
(2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide
CID 115519316
7-[(4-amino-2-methylbutanoyl)amino]heptanoic acid
CID 80543842
4-amino-2-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 80543906
4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide
CID 80544365
7,7,7-trifluoro-3-methylheptan-1-amine
CID 116536083
1-butyl-3-(4,4,4-trifluorobutyl)urea
CID 115663087
4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide
CID 107221139
4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide
CID 80541244

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide?
The IUPAC name of 4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide (CID 115519191) is 4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide?
The canonical SMILES for 4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide is CC(CCN)C(=O)NCCCC(F)(F)F.
What is the InChIKey of 4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide?
The InChIKey is CFQQNQJMLWQZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-7(3-5-13)8(15)14-6-2-4-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide?
4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide has a molecular weight of 226.24 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide is sourced from PubChem (CID 115519191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).