2,3-bis(methylimino)butanamide

C6H11N3O — CID 91070483

IUPAC2,3-bis(methylimino)butanamide
SMILESC/N=C(C(N)=O)/C(C)=N/C
InChIInChI=1S/C6H11N3O/c1-4(8-2)5(9-3)6(7)10/h1-3H3,(H2,7,10)/b8-4+,9-5-
InChIKeyFQXBNOCTZKPWMN-HXGSSHHBSA-N
MW141.17 g/mol
LogP-0.37
Rot. Bonds2

About 2,3-bis(methylimino)butanamide

2,3-bis(methylimino)butanamide (PubChem CID 91070483) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2,3-bis(methylimino)butanamide.

Molecular Properties

Compound Name2,3-bis(methylimino)butanamide
PubChem CID91070483
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2,3-bis(methylimino)butanamide
SMILESC/N=C(C(N)=O)/C(C)=N/C
InChIInChI=1S/C6H11N3O/c1-4(8-2)5(9-3)6(7)10/h1-3H3,(H2,7,10)/b8-4+,9-5-
InChIKeyFQXBNOCTZKPWMN-HXGSSHHBSA-N
XLogP-0.37
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Iminobutanamide
CID 7538028
2,2-Difluoro-3-methyliminobutanamide
CID 124000659
5-Methyl-2-oxoimidazole-4-carboxamide
CID 45084074
3-imino-N,N-dimethylbutanamide
CID 53720819
2-Methyliminopropanamide
CID 55289375
2,3-Diiminobutanamide
CID 55289896
2-Iminobutanamide
CID 57321581
4-Methyliminopentanamide
CID 89563801
2-(Methyliminomethylimino)butanamide
CID 90245985
3-Ethylimino-2-isocyanobutanamide
CID 90749250
3-Amino-2-methyliminobutanamide
CID 123225524
3-Methyliminobutanamide
CID 123410050

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(methylimino)butanamide?
The IUPAC name of 2,3-bis(methylimino)butanamide (CID 91070483) is 2,3-bis(methylimino)butanamide.
What is the SMILES notation for 2,3-bis(methylimino)butanamide?
The canonical SMILES for 2,3-bis(methylimino)butanamide is C/N=C(C(N)=O)/C(C)=N/C.
What is the InChIKey of 2,3-bis(methylimino)butanamide?
The InChIKey is FQXBNOCTZKPWMN-HXGSSHHBSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4(8-2)5(9-3)6(7)10/h1-3H3,(H2,7,10)/b8-4+,9-5-.
What are the key properties of 2,3-bis(methylimino)butanamide?
2,3-bis(methylimino)butanamide has a molecular weight of 141.17 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methylimino)butanamide is sourced from PubChem (CID 91070483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).