2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide

C9H18N2O — CID 147835006

IUPAC2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide
SMILES[H]/N=C(/NC(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C9H18N2O/c1-6(2)7(10)11-8(12)9(3,4)5/h6H,1-5H3,(H2,10,11,12)
InChIKeyHRVIEQITZRLHLS-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.78
Rot. Bonds1

About 2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide

2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide (PubChem CID 147835006) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide
PubChem CID147835006
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide
SMILES[H]/N=C(/NC(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C9H18N2O/c1-6(2)7(10)11-8(12)9(3,4)5/h6H,1-5H3,(H2,10,11,12)
InChIKeyHRVIEQITZRLHLS-UHFFFAOYSA-N
XLogP1.78
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylpropanimidoyl)acetamide
CID 140440767
2-methyl-N-(4-methylpentanimidoyl)propanamide
CID 140915600
N-(2-methylpropanimidoyl)acetamide
CID 142079476
ethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide
CID 143223997
1-(2-Methylpropanoylamino)ethylideneazanide
CID 149316648
2-methyl-N-(2-methylpropanimidoyl)propanamide
CID 154038986
N-ethanimidoylpropanamide
CID 154041938
N-ethanimidoyl-2-methylpropanamide
CID 154046564
N-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]-2-methylpropanamide
CID 156522388
N-Ethanimidoyl-2,2-dimethylpropanamide
CID 165356844
N-ethanimidoyl-2-methylpropanamide;N'-[(E)-2-methylpropylideneamino]ethanimidamide
CID 172981530
N-propanimidoylpropanamide
CID 173088249

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide (CID 147835006) is 2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide is [H]/N=C(/NC(=O)C(C)(C)C)C(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide?
The InChIKey is HRVIEQITZRLHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-6(2)7(10)11-8(12)9(3,4)5/h6H,1-5H3,(H2,10,11,12).
What are the key properties of 2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide?
2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide has a molecular weight of 170.26 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide is sourced from PubChem (CID 147835006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).