2-(dimethylamino)-N-(propan-2-ylideneamino)acetamide

C7H15N3O — CID 45088529

IUPAC2-(dimethylamino)-N-(propan-2-ylideneamino)acetamide
SMILESCC(C)=NNC(=O)CN(C)C
InChIInChI=1S/C7H15N3O/c1-6(2)8-9-7(11)5-10(3)4/h5H2,1-4H3,(H,9,11)
InChIKeyVQENUVBIGMIBOD-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.06
Rot. Bonds3

About 2-(dimethylamino)-N-(propan-2-ylideneamino)acetamide

2-(dimethylamino)-N-(propan-2-ylideneamino)acetamide (PubChem CID 45088529) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(propan-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(propan-2-ylideneamino)acetamide
PubChem CID45088529
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-(dimethylamino)-N-(propan-2-ylideneamino)acetamide
SMILESCC(C)=NNC(=O)CN(C)C
InChIInChI=1S/C7H15N3O/c1-6(2)8-9-7(11)5-10(3)4/h5H2,1-4H3,(H,9,11)
InChIKeyVQENUVBIGMIBOD-UHFFFAOYSA-N
XLogP0.06
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(dimethylamino)-N-(propan-2-ylideneamino)acetamide?
The IUPAC name of 2-(dimethylamino)-N-(propan-2-ylideneamino)acetamide (CID 45088529) is 2-(dimethylamino)-N-(propan-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(propan-2-ylideneamino)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(propan-2-ylideneamino)acetamide is CC(C)=NNC(=O)CN(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(propan-2-ylideneamino)acetamide?
The InChIKey is VQENUVBIGMIBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-6(2)8-9-7(11)5-10(3)4/h5H2,1-4H3,(H,9,11).
What are the key properties of 2-(dimethylamino)-N-(propan-2-ylideneamino)acetamide?
2-(dimethylamino)-N-(propan-2-ylideneamino)acetamide has a molecular weight of 157.22 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(propan-2-ylideneamino)acetamide is sourced from PubChem (CID 45088529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).