N-(2-methylpropylideneamino)acetamide

C6H12N2O — CID 519289

IUPACN-(2-methylpropylideneamino)acetamide
SMILESCC(=O)NN=CC(C)C
InChIInChI=1S/C6H12N2O/c1-5(2)4-7-8-6(3)9/h4-5H,1-3H3,(H,8,9)
InChIKeyJQPAOGJTPACAPO-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.76
Rot. Bonds2

About N-(2-methylpropylideneamino)acetamide

N-(2-methylpropylideneamino)acetamide (PubChem CID 519289) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-(2-methylpropylideneamino)acetamide.

Molecular Properties

Compound NameN-(2-methylpropylideneamino)acetamide
PubChem CID519289
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-(2-methylpropylideneamino)acetamide
SMILESCC(=O)NN=CC(C)C
InChIInChI=1S/C6H12N2O/c1-5(2)4-7-8-6(3)9/h4-5H,1-3H3,(H,8,9)
InChIKeyJQPAOGJTPACAPO-UHFFFAOYSA-N
XLogP0.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropylideneamino)acetamide?
The IUPAC name of N-(2-methylpropylideneamino)acetamide (CID 519289) is N-(2-methylpropylideneamino)acetamide.
What is the SMILES notation for N-(2-methylpropylideneamino)acetamide?
The canonical SMILES for N-(2-methylpropylideneamino)acetamide is CC(=O)NN=CC(C)C.
What is the InChIKey of N-(2-methylpropylideneamino)acetamide?
The InChIKey is JQPAOGJTPACAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(2)4-7-8-6(3)9/h4-5H,1-3H3,(H,8,9).
What are the key properties of N-(2-methylpropylideneamino)acetamide?
N-(2-methylpropylideneamino)acetamide has a molecular weight of 128.17 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylideneamino)acetamide is sourced from PubChem (CID 519289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).