N-(1-aminobutylidene)butanamide

C8H16N2O — CID 87477413

IUPACN-(1-aminobutylidene)butanamide
SMILESCCCC(=O)/N=C(/N)CCC
InChIInChI=1S/C8H16N2O/c1-3-5-7(9)10-8(11)6-4-2/h3-6H2,1-2H3,(H2,9,10,11)
InChIKeySEFPNGGYBKTAOW-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.47
Rot. Bonds4

About N-(1-aminobutylidene)butanamide

N-(1-aminobutylidene)butanamide (PubChem CID 87477413) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-(1-aminobutylidene)butanamide.

Molecular Properties

Compound NameN-(1-aminobutylidene)butanamide
PubChem CID87477413
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-(1-aminobutylidene)butanamide
SMILESCCCC(=O)/N=C(/N)CCC
InChIInChI=1S/C8H16N2O/c1-3-5-7(9)10-8(11)6-4-2/h3-6H2,1-2H3,(H2,9,10,11)
InChIKeySEFPNGGYBKTAOW-UHFFFAOYSA-N
XLogP1.47
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-aminobutylidene)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutylidene)butanamide?
The IUPAC name of N-(1-aminobutylidene)butanamide (CID 87477413) is N-(1-aminobutylidene)butanamide.
What is the SMILES notation for N-(1-aminobutylidene)butanamide?
The canonical SMILES for N-(1-aminobutylidene)butanamide is CCCC(=O)/N=C(/N)CCC.
What is the InChIKey of N-(1-aminobutylidene)butanamide?
The InChIKey is SEFPNGGYBKTAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-5-7(9)10-8(11)6-4-2/h3-6H2,1-2H3,(H2,9,10,11).
What are the key properties of N-(1-aminobutylidene)butanamide?
N-(1-aminobutylidene)butanamide has a molecular weight of 156.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutylidene)butanamide is sourced from PubChem (CID 87477413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).