2-(2,2-dimethylpropylideneamino)-N-methylacetamide

C8H16N2O — CID 86129333

IUPAC2-(2,2-dimethylpropylideneamino)-N-methylacetamide
SMILESCNC(=O)C/N=C/C(C)(C)C
InChIInChI=1S/C8H16N2O/c1-8(2,3)6-10-5-7(11)9-4/h6H,5H2,1-4H3,(H,9,11)/b10-6+
InChIKeyRBIFQULZSGXFPX-UXBLZVDNSA-N
MW156.23 g/mol
LogP0.85
Rot. Bonds2

About 2-(2,2-dimethylpropylideneamino)-N-methylacetamide

2-(2,2-dimethylpropylideneamino)-N-methylacetamide (PubChem CID 86129333) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylideneamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropylideneamino)-N-methylacetamide
PubChem CID86129333
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(2,2-dimethylpropylideneamino)-N-methylacetamide
SMILESCNC(=O)C/N=C/C(C)(C)C
InChIInChI=1S/C8H16N2O/c1-8(2,3)6-10-5-7(11)9-4/h6H,5H2,1-4H3,(H,9,11)/b10-6+
InChIKeyRBIFQULZSGXFPX-UXBLZVDNSA-N
XLogP0.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylideneamino)-N-methylacetamide?
The IUPAC name of 2-(2,2-dimethylpropylideneamino)-N-methylacetamide (CID 86129333) is 2-(2,2-dimethylpropylideneamino)-N-methylacetamide.
What is the SMILES notation for 2-(2,2-dimethylpropylideneamino)-N-methylacetamide?
The canonical SMILES for 2-(2,2-dimethylpropylideneamino)-N-methylacetamide is CNC(=O)C/N=C/C(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropylideneamino)-N-methylacetamide?
The InChIKey is RBIFQULZSGXFPX-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2,3)6-10-5-7(11)9-4/h6H,5H2,1-4H3,(H,9,11)/b10-6+.
What are the key properties of 2-(2,2-dimethylpropylideneamino)-N-methylacetamide?
2-(2,2-dimethylpropylideneamino)-N-methylacetamide has a molecular weight of 156.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylideneamino)-N-methylacetamide is sourced from PubChem (CID 86129333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).