4-amino-4-ethyliminobutanamide

C6H13N3O — CID 87477660

IUPAC4-amino-4-ethyliminobutanamide
SMILESCC/N=C(\N)CCC(N)=O
InChIInChI=1S/C6H13N3O/c1-2-9-5(7)3-4-6(8)10/h2-4H2,1H3,(H2,7,9)(H2,8,10)
InChIKeyWGSWTZLWWNZOOK-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.37
Rot. Bonds4

About 4-amino-4-ethyliminobutanamide

4-amino-4-ethyliminobutanamide (PubChem CID 87477660) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-amino-4-ethyliminobutanamide.

Molecular Properties

Compound Name4-amino-4-ethyliminobutanamide
PubChem CID87477660
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name4-amino-4-ethyliminobutanamide
SMILESCC/N=C(\N)CCC(N)=O
InChIInChI=1S/C6H13N3O/c1-2-9-5(7)3-4-6(8)10/h2-4H2,1H3,(H2,7,9)(H2,8,10)
InChIKeyWGSWTZLWWNZOOK-UHFFFAOYSA-N
XLogP-0.37
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-ethyliminobutanamide?
The IUPAC name of 4-amino-4-ethyliminobutanamide (CID 87477660) is 4-amino-4-ethyliminobutanamide.
What is the SMILES notation for 4-amino-4-ethyliminobutanamide?
The canonical SMILES for 4-amino-4-ethyliminobutanamide is CC/N=C(\N)CCC(N)=O.
What is the InChIKey of 4-amino-4-ethyliminobutanamide?
The InChIKey is WGSWTZLWWNZOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-2-9-5(7)3-4-6(8)10/h2-4H2,1H3,(H2,7,9)(H2,8,10).
What are the key properties of 4-amino-4-ethyliminobutanamide?
4-amino-4-ethyliminobutanamide has a molecular weight of 143.19 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-ethyliminobutanamide is sourced from PubChem (CID 87477660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).