N'-but-1-enylbutanimidamide

C8H16N2 — CID 135302291

IUPACN'-but-1-enylbutanimidamide
SMILESCCC=C/N=C(/N)CCC
InChIInChI=1S/C8H16N2/c1-3-5-7-10-8(9)6-4-2/h5,7H,3-4,6H2,1-2H3,(H2,9,10)
InChIKeySHGCEHFGNLWGQJ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.07
Rot. Bonds4

About N'-but-1-enylbutanimidamide

N'-but-1-enylbutanimidamide (PubChem CID 135302291) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N'-but-1-enylbutanimidamide.

Molecular Properties

Compound NameN'-but-1-enylbutanimidamide
PubChem CID135302291
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN'-but-1-enylbutanimidamide
SMILESCCC=C/N=C(/N)CCC
InChIInChI=1S/C8H16N2/c1-3-5-7-10-8(9)6-4-2/h5,7H,3-4,6H2,1-2H3,(H2,9,10)
InChIKeySHGCEHFGNLWGQJ-UHFFFAOYSA-N
XLogP2.07
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.07
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'-but-1-enylbutanimidamide 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'-but-1-enylbutanimidamide?
The IUPAC name of N'-but-1-enylbutanimidamide (CID 135302291) is N'-but-1-enylbutanimidamide.
What is the SMILES notation for N'-but-1-enylbutanimidamide?
The canonical SMILES for N'-but-1-enylbutanimidamide is CCC=C/N=C(/N)CCC.
What is the InChIKey of N'-but-1-enylbutanimidamide?
The InChIKey is SHGCEHFGNLWGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-5-7-10-8(9)6-4-2/h5,7H,3-4,6H2,1-2H3,(H2,9,10).
What are the key properties of N'-but-1-enylbutanimidamide?
N'-but-1-enylbutanimidamide has a molecular weight of 140.23 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-1-enylbutanimidamide is sourced from PubChem (CID 135302291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).