2-(propan-2-ylideneamino)propanamide

C6H12N2O — CID 55290813

IUPAC2-(propan-2-ylideneamino)propanamide
SMILESCC(C)=NC(C)C(N)=O
InChIInChI=1S/C6H12N2O/c1-4(2)8-5(3)6(7)9/h5H,1-3H3,(H2,7,9)
InChIKeyNORPSQNILRAQHV-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.34
Rot. Bonds2

About 2-(propan-2-ylideneamino)propanamide

2-(propan-2-ylideneamino)propanamide (PubChem CID 55290813) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-(propan-2-ylideneamino)propanamide.

Molecular Properties

Compound Name2-(propan-2-ylideneamino)propanamide
PubChem CID55290813
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-(propan-2-ylideneamino)propanamide
SMILESCC(C)=NC(C)C(N)=O
InChIInChI=1S/C6H12N2O/c1-4(2)8-5(3)6(7)9/h5H,1-3H3,(H2,7,9)
InChIKeyNORPSQNILRAQHV-UHFFFAOYSA-N
XLogP0.34
TPSA55.45 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 ≤ 50.34
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

2-[[amino(hydrazinyl)methylidene]amino]propanamide
CID 64867512
2-methylpropanamide;bis(propan-2-one)
CID 174404145
2-phosphorosopropanamide
CID 174589319
(2S)-2-diazenylpropanamide
CID 88574681
dimethylphosphane;2-hydroxypropanamide
CID 174842276
2-phosphorosopropanamide;hydrate
CID 174974761
methyl 2-aminopropanoate;methyl 2-(propan-2-ylideneamino)propanoate;propan-2-imine;propan-2-one
CID 161380523
carbamic acid;ethane-1,1-diol
CID 175516501
2,3-dimethylbutanediamide
CID 55281411
(3R)-3-hydroxy-2-methylbutanamide
CID 134245367
2-(1-aminoethylideneamino)-N,N-dimethylpropanamide
CID 63173364
(2S)-2-[[amino(hydrazinyl)methylidene]amino]propanoic acid
CID 142796198

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylideneamino)propanamide?
The IUPAC name of 2-(propan-2-ylideneamino)propanamide (CID 55290813) is 2-(propan-2-ylideneamino)propanamide.
What is the SMILES notation for 2-(propan-2-ylideneamino)propanamide?
The canonical SMILES for 2-(propan-2-ylideneamino)propanamide is CC(C)=NC(C)C(N)=O.
What is the InChIKey of 2-(propan-2-ylideneamino)propanamide?
The InChIKey is NORPSQNILRAQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4(2)8-5(3)6(7)9/h5H,1-3H3,(H2,7,9).
What are the key properties of 2-(propan-2-ylideneamino)propanamide?
2-(propan-2-ylideneamino)propanamide has a molecular weight of 128.17 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylideneamino)propanamide is sourced from PubChem (CID 55290813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).