2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide

C12H26N2O — CID 115750981

IUPAC2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide
SMILESCCC(CC)CNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-6-9(7-2)8-14-11(15)10(13)12(3,4)5/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyQCHFIJIAUKHVGY-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.91
Rot. Bonds5

About 2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide

2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide (PubChem CID 115750981) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide
PubChem CID115750981
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide
SMILESCCC(CC)CNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-6-9(7-2)8-14-11(15)10(13)12(3,4)5/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyQCHFIJIAUKHVGY-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide
CID 58124579
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide
CID 106116615
(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 64598491
(2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride
CID 119784033
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119817764
2-amino-N-(3-hydroxypentyl)-3,3-dimethylbutanamide
CID 115751041
(2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide
CID 104865583
2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 103827723
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
(2S)-2-amino-N-(3-ethyl-2-pyrrolidin-1-ylpentyl)-3,3-dimethylbutanamide;dihydrochloride
CID 119842204

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide (CID 115750981) is 2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide is CCC(CC)CNC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide?
The InChIKey is QCHFIJIAUKHVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-9(7-2)8-14-11(15)10(13)12(3,4)5/h9-10H,6-8,13H2,1-5H3,(H,14,15).
What are the key properties of 2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide?
2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide has a molecular weight of 214.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 115750981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).