3-amino-2-methyliminobutanamide

C5H11N3O — CID 123225524

IUPAC3-amino-2-methyliminobutanamide
SMILESC/N=C(\C(N)=O)C(C)N
InChIInChI=1S/C5H11N3O/c1-3(6)4(8-2)5(7)9/h3H,6H2,1-2H3,(H2,7,9)/b8-4-
InChIKeyCGULMEINOAODPX-YWEYNIOJSA-N
MW129.16 g/mol
LogP-1.11
Rot. Bonds2

About 3-amino-2-methyliminobutanamide

3-amino-2-methyliminobutanamide (PubChem CID 123225524) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-amino-2-methyliminobutanamide.

Molecular Properties

Compound Name3-amino-2-methyliminobutanamide
PubChem CID123225524
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name3-amino-2-methyliminobutanamide
SMILESC/N=C(\C(N)=O)C(C)N
InChIInChI=1S/C5H11N3O/c1-3(6)4(8-2)5(7)9/h3H,6H2,1-2H3,(H2,7,9)/b8-4-
InChIKeyCGULMEINOAODPX-YWEYNIOJSA-N
XLogP-1.11
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Ethylimino-2-isocyanobutanamide
CID 90749250
2,3-Bis(methylimino)butanamide
CID 91070483
3-Methyliminobutanamide
CID 123410050
4-Amino-3-methyliminopentan-2-one
CID 123465200
2-Methyliminobutanamide
CID 123659925
3-Amino-2-iminobutanamide
CID 123991333
3-amino-2-imino-N-methylbutanamide
CID 163414463
3-(1-Aminopropylideneamino)butanamide
CID 116307274

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyliminobutanamide?
The IUPAC name of 3-amino-2-methyliminobutanamide (CID 123225524) is 3-amino-2-methyliminobutanamide.
What is the SMILES notation for 3-amino-2-methyliminobutanamide?
The canonical SMILES for 3-amino-2-methyliminobutanamide is C/N=C(\C(N)=O)C(C)N.
What is the InChIKey of 3-amino-2-methyliminobutanamide?
The InChIKey is CGULMEINOAODPX-YWEYNIOJSA-N. The full InChI is InChI=1S/C5H11N3O/c1-3(6)4(8-2)5(7)9/h3H,6H2,1-2H3,(H2,7,9)/b8-4-.
What are the key properties of 3-amino-2-methyliminobutanamide?
3-amino-2-methyliminobutanamide has a molecular weight of 129.16 g/mol, XLogP of -1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyliminobutanamide is sourced from PubChem (CID 123225524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).