2-(1-aminobutylideneamino)propanamide

C7H15N3O — CID 63176031

IUPAC2-(1-aminobutylideneamino)propanamide
SMILESCCC/C(N)=N\C(C)C(N)=O
InChIInChI=1S/C7H15N3O/c1-3-4-6(8)10-5(2)7(9)11/h5H,3-4H2,1-2H3,(H2,8,10)(H2,9,11)
InChIKeyWMHFZORKZALOJV-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.02
Rot. Bonds4

About 2-(1-aminobutylideneamino)propanamide

2-(1-aminobutylideneamino)propanamide (PubChem CID 63176031) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-(1-aminobutylideneamino)propanamide.

Molecular Properties

Compound Name2-(1-aminobutylideneamino)propanamide
PubChem CID63176031
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-(1-aminobutylideneamino)propanamide
SMILESCCC/C(N)=N\C(C)C(N)=O
InChIInChI=1S/C7H15N3O/c1-3-4-6(8)10-5(2)7(9)11/h5H,3-4H2,1-2H3,(H2,8,10)(H2,9,11)
InChIKeyWMHFZORKZALOJV-UHFFFAOYSA-N
XLogP0.02
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.02
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 2-(1-aminobutylideneamino)propanamide?
The IUPAC name of 2-(1-aminobutylideneamino)propanamide (CID 63176031) is 2-(1-aminobutylideneamino)propanamide.
What is the SMILES notation for 2-(1-aminobutylideneamino)propanamide?
The canonical SMILES for 2-(1-aminobutylideneamino)propanamide is CCC/C(N)=N\C(C)C(N)=O.
What is the InChIKey of 2-(1-aminobutylideneamino)propanamide?
The InChIKey is WMHFZORKZALOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-3-4-6(8)10-5(2)7(9)11/h5H,3-4H2,1-2H3,(H2,8,10)(H2,9,11).
What are the key properties of 2-(1-aminobutylideneamino)propanamide?
2-(1-aminobutylideneamino)propanamide has a molecular weight of 157.22 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutylideneamino)propanamide is sourced from PubChem (CID 63176031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).