2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide

C10H22N2O — CID 76892696

IUPAC2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C10H22N2O/c1-7(2)6-12-9(13)8(11)10(3,4)5/h7-8H,6,11H2,1-5H3,(H,12,13)
InChIKeyATABWCCJLMYYSJ-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.13
Rot. Bonds3

About 2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide

2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide (PubChem CID 76892696) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
PubChem CID76892696
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C10H22N2O/c1-7(2)6-12-9(13)8(11)10(3,4)5/h7-8H,6,11H2,1-5H3,(H,12,13)
InChIKeyATABWCCJLMYYSJ-UHFFFAOYSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 64598491
2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 103827723
(2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide
CID 58124579
2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide
CID 115750981
(2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide
CID 104865583
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119817764
(2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride
CID 119784033
(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 113353389
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide (CID 76892696) is 2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide is CC(C)CNC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide?
The InChIKey is ATABWCCJLMYYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-7(2)6-12-9(13)8(11)10(3,4)5/h7-8H,6,11H2,1-5H3,(H,12,13).
What are the key properties of 2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide?
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide has a molecular weight of 186.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 76892696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).