(2S)-2-(2,2-dimethylpropylideneamino)-N,3-dimethylbutanamide

C11H22N2O — CID 13491011

IUPAC(2S)-2-(2,2-dimethylpropylideneamino)-N,3-dimethylbutanamide
SMILESCNC(=O)[C@@H](/N=C/C(C)(C)C)C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)9(10(14)12-6)13-7-11(3,4)5/h7-9H,1-6H3,(H,12,14)/b13-7+/t9-/m0/s1
InChIKeySOQWZUHLJOMRDL-PBJWJZLWSA-N
MW198.31 g/mol
LogP1.87
Rot. Bonds3

About (2S)-2-(2,2-dimethylpropylideneamino)-N,3-dimethylbutanamide

(2S)-2-(2,2-dimethylpropylideneamino)-N,3-dimethylbutanamide (PubChem CID 13491011) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropylideneamino)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropylideneamino)-N,3-dimethylbutanamide
PubChem CID13491011
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-2-(2,2-dimethylpropylideneamino)-N,3-dimethylbutanamide
SMILESCNC(=O)[C@@H](/N=C/C(C)(C)C)C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)9(10(14)12-6)13-7-11(3,4)5/h7-9H,1-6H3,(H,12,14)/b13-7+/t9-/m0/s1
InChIKeySOQWZUHLJOMRDL-PBJWJZLWSA-N
XLogP1.87
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2,2-dimethylpropylideneamino)-N-methylpropanamide
CID 18602647
(S)-2-[(2,2-Dimethylpropylidene)amino]-N-methylpropanamide
CID 23324287
(2S)-2-(2,2-dimethylpropylideneamino)-N-ethyl-3-methylbutanamide
CID 88672576
5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one
CID 90702382
(2S)-N,3-dimethyl-2-(methylideneamino)butanamide
CID 121291816
3-methyl-2-(3-methylbutanoylamino)-N-methylidenebutanamide
CID 123308126
(2S)-N,4-dimethyl-2-(pentylideneamino)pentanamide
CID 135143618
(2S)-2-(2,2-dimethylpropylideneamino)-N,4-dimethylpentanamide
CID 135143619
2-amino-N,3-dimethylbutanamide;ethane
CID 145048835
(2S)-2-amino-N,3-dimethylbutanamide;ethane
CID 155742491
(2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide
CID 166078712
2-acetamido-N-(1-iminopropan-2-yl)-3-methylbutanamide
CID 176672184

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropylideneamino)-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-(2,2-dimethylpropylideneamino)-N,3-dimethylbutanamide (CID 13491011) is (2S)-2-(2,2-dimethylpropylideneamino)-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropylideneamino)-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-(2,2-dimethylpropylideneamino)-N,3-dimethylbutanamide is CNC(=O)[C@@H](/N=C/C(C)(C)C)C(C)C.
What is the InChIKey of (2S)-2-(2,2-dimethylpropylideneamino)-N,3-dimethylbutanamide?
The InChIKey is SOQWZUHLJOMRDL-PBJWJZLWSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)9(10(14)12-6)13-7-11(3,4)5/h7-9H,1-6H3,(H,12,14)/b13-7+/t9-/m0/s1.
What are the key properties of (2S)-2-(2,2-dimethylpropylideneamino)-N,3-dimethylbutanamide?
(2S)-2-(2,2-dimethylpropylideneamino)-N,3-dimethylbutanamide has a molecular weight of 198.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dimethylpropylideneamino)-N,3-dimethylbutanamide is sourced from PubChem (CID 13491011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).