3-imino-N,N-dimethylpropanamide

C5H10N2O — CID 87932426

IUPAC3-imino-N,N-dimethylpropanamide
SMILES[H]/N=C/CC(=O)N(C)C
InChIInChI=1S/C5H10N2O/c1-7(2)5(8)3-4-6/h4,6H,3H2,1-2H3/b6-4+
InChIKeyRLFFUNWBQILEGI-GQCTYLIASA-N
MW114.15 g/mol
LogP0.11
Rot. Bonds2

About 3-imino-N,N-dimethylpropanamide

3-imino-N,N-dimethylpropanamide (PubChem CID 87932426) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 3-imino-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-imino-N,N-dimethylpropanamide
PubChem CID87932426
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name3-imino-N,N-dimethylpropanamide
SMILES[H]/N=C/CC(=O)N(C)C
InChIInChI=1S/C5H10N2O/c1-7(2)5(8)3-4-6/h4,6H,3H2,1-2H3/b6-4+
InChIKeyRLFFUNWBQILEGI-GQCTYLIASA-N
XLogP0.11
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.11
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 3-imino-N,N-dimethylpropanamide?
The IUPAC name of 3-imino-N,N-dimethylpropanamide (CID 87932426) is 3-imino-N,N-dimethylpropanamide.
What is the SMILES notation for 3-imino-N,N-dimethylpropanamide?
The canonical SMILES for 3-imino-N,N-dimethylpropanamide is [H]/N=C/CC(=O)N(C)C.
What is the InChIKey of 3-imino-N,N-dimethylpropanamide?
The InChIKey is RLFFUNWBQILEGI-GQCTYLIASA-N. The full InChI is InChI=1S/C5H10N2O/c1-7(2)5(8)3-4-6/h4,6H,3H2,1-2H3/b6-4+.
What are the key properties of 3-imino-N,N-dimethylpropanamide?
3-imino-N,N-dimethylpropanamide has a molecular weight of 114.15 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N,N-dimethylpropanamide is sourced from PubChem (CID 87932426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).