N-but-3-enylidene-N'-prop-2-enylmethanimidamide

C8H12N2 — CID 87377366

IUPACN-but-3-enylidene-N'-prop-2-enylmethanimidamide
SMILESC=CC/C=N/C=N/CC=C
InChIInChI=1S/C8H12N2/c1-3-5-7-10-8-9-6-4-2/h3-4,7-8H,1-2,5-6H2/b9-8+,10-7+
InChIKeySUBRGYYTKAQMFO-DGLUDJRXSA-N
MW136.20 g/mol
LogP1.85
Rot. Bonds5

About N-but-3-enylidene-N'-prop-2-enylmethanimidamide

N-but-3-enylidene-N'-prop-2-enylmethanimidamide (PubChem CID 87377366) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-but-3-enylidene-N'-prop-2-enylmethanimidamide.

Molecular Properties

Compound NameN-but-3-enylidene-N'-prop-2-enylmethanimidamide
PubChem CID87377366
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-but-3-enylidene-N'-prop-2-enylmethanimidamide
SMILESC=CC/C=N/C=N/CC=C
InChIInChI=1S/C8H12N2/c1-3-5-7-10-8-9-6-4-2/h3-4,7-8H,1-2,5-6H2/b9-8+,10-7+
InChIKeySUBRGYYTKAQMFO-DGLUDJRXSA-N
XLogP1.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-but-3-enylidene-N'-prop-2-enylmethanimidamide 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-3-enylidene-N'-prop-2-enylmethanimidamide?
The IUPAC name of N-but-3-enylidene-N'-prop-2-enylmethanimidamide (CID 87377366) is N-but-3-enylidene-N'-prop-2-enylmethanimidamide.
What is the SMILES notation for N-but-3-enylidene-N'-prop-2-enylmethanimidamide?
The canonical SMILES for N-but-3-enylidene-N'-prop-2-enylmethanimidamide is C=CC/C=N/C=N/CC=C.
What is the InChIKey of N-but-3-enylidene-N'-prop-2-enylmethanimidamide?
The InChIKey is SUBRGYYTKAQMFO-DGLUDJRXSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-5-7-10-8-9-6-4-2/h3-4,7-8H,1-2,5-6H2/b9-8+,10-7+.
What are the key properties of N-but-3-enylidene-N'-prop-2-enylmethanimidamide?
N-but-3-enylidene-N'-prop-2-enylmethanimidamide has a molecular weight of 136.20 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enylidene-N'-prop-2-enylmethanimidamide is sourced from PubChem (CID 87377366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).