N'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide

C8H14N2 — CID 139455759

IUPACN'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide
SMILESC/C=C(C)\N=C(C)\N=C\C
InChIInChI=1S/C8H14N2/c1-5-7(3)10-8(4)9-6-2/h5-6H,1-4H3/b7-5-,9-6+,10-8+
InChIKeyUGESJNPESYAGIH-BZDCPZFQSA-N
MW138.21 g/mol
LogP2.42
Rot. Bonds1

About N'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide

N'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide (PubChem CID 139455759) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide
PubChem CID139455759
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide
SMILESC/C=C(C)\N=C(C)\N=C\C
InChIInChI=1S/C8H14N2/c1-5-7(3)10-8(4)9-6-2/h5-6H,1-4H3/b7-5-,9-6+,10-8+
InChIKeyUGESJNPESYAGIH-BZDCPZFQSA-N
XLogP2.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.42
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'}

Analyze N'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide 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'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide?
The IUPAC name of N'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide (CID 139455759) is N'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide.
What is the SMILES notation for N'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide?
The canonical SMILES for N'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide is C/C=C(C)\N=C(C)\N=C\C.
What is the InChIKey of N'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide?
The InChIKey is UGESJNPESYAGIH-BZDCPZFQSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-7(3)10-8(4)9-6-2/h5-6H,1-4H3/b7-5-,9-6+,10-8+.
What are the key properties of N'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide?
N'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-2-en-2-yl]-N-ethylideneethanimidamide is sourced from PubChem (CID 139455759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).