N-ethyl-2,3-bis(methylimino)propanamide

C7H13N3O — CID 142953206

IUPACN-ethyl-2,3-bis(methylimino)propanamide
SMILESCCNC(=O)C(/C=N/C)=N/C
InChIInChI=1S/C7H13N3O/c1-4-10-7(11)6(9-3)5-8-2/h5H,4H2,1-3H3,(H,10,11)/b8-5+,9-6+
InChIKeyNTKFRBXLITWOEX-XVYDYJIPSA-N
MW155.20 g/mol
LogP-0.11
Rot. Bonds3

About N-ethyl-2,3-bis(methylimino)propanamide

N-ethyl-2,3-bis(methylimino)propanamide (PubChem CID 142953206) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-ethyl-2,3-bis(methylimino)propanamide.

Molecular Properties

Compound NameN-ethyl-2,3-bis(methylimino)propanamide
PubChem CID142953206
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-ethyl-2,3-bis(methylimino)propanamide
SMILESCCNC(=O)C(/C=N/C)=N/C
InChIInChI=1S/C7H13N3O/c1-4-10-7(11)6(9-3)5-8-2/h5H,4H2,1-3H3,(H,10,11)/b8-5+,9-6+
InChIKeyNTKFRBXLITWOEX-XVYDYJIPSA-N
XLogP-0.11
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-ethyl-2,3-bis(methylimino)propanamide?
The IUPAC name of N-ethyl-2,3-bis(methylimino)propanamide (CID 142953206) is N-ethyl-2,3-bis(methylimino)propanamide.
What is the SMILES notation for N-ethyl-2,3-bis(methylimino)propanamide?
The canonical SMILES for N-ethyl-2,3-bis(methylimino)propanamide is CCNC(=O)C(/C=N/C)=N/C.
What is the InChIKey of N-ethyl-2,3-bis(methylimino)propanamide?
The InChIKey is NTKFRBXLITWOEX-XVYDYJIPSA-N. The full InChI is InChI=1S/C7H13N3O/c1-4-10-7(11)6(9-3)5-8-2/h5H,4H2,1-3H3,(H,10,11)/b8-5+,9-6+.
What are the key properties of N-ethyl-2,3-bis(methylimino)propanamide?
N-ethyl-2,3-bis(methylimino)propanamide has a molecular weight of 155.20 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-bis(methylimino)propanamide is sourced from PubChem (CID 142953206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).