N-[(Z)-3-(but-3-enylideneamino)-2-ethenylbut-2-enyl]-N'-methylethanimidamide

C13H21N3 — CID 167266192

IUPACN-[(Z)-3-(but-3-enylideneamino)-2-ethenylbut-2-enyl]-N'-methylethanimidamide
SMILESC=CC/C=N/C(C)=C(/C=C)CN/C(C)=N/C
InChIInChI=1S/C13H21N3/c1-6-8-9-15-11(3)13(7-2)10-16-12(4)14-5/h6-7,9H,1-2,8,10H2,3-5H3,(H,14,16)/b13-11-,15-9+
InChIKeyDUICFMUNWZHTJJ-IJAPUHMYSA-N
MW219.33 g/mol
LogP2.73
Rot. Bonds6

About N-[(Z)-3-(but-3-enylideneamino)-2-ethenylbut-2-enyl]-N'-methylethanimidamide

N-[(Z)-3-(but-3-enylideneamino)-2-ethenylbut-2-enyl]-N'-methylethanimidamide (PubChem CID 167266192) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(Z)-3-(but-3-enylideneamino)-2-ethenylbut-2-enyl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(Z)-3-(but-3-enylideneamino)-2-ethenylbut-2-enyl]-N'-methylethanimidamide
PubChem CID167266192
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(Z)-3-(but-3-enylideneamino)-2-ethenylbut-2-enyl]-N'-methylethanimidamide
SMILESC=CC/C=N/C(C)=C(/C=C)CN/C(C)=N/C
InChIInChI=1S/C13H21N3/c1-6-8-9-15-11(3)13(7-2)10-16-12(4)14-5/h6-7,9H,1-2,8,10H2,3-5H3,(H,14,16)/b13-11-,15-9+
InChIKeyDUICFMUNWZHTJJ-IJAPUHMYSA-N
XLogP2.73
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(Z)-3-(but-3-enylideneamino)-2-ethenylbut-2-enyl]-N'-methylethanimidamide 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)-3-(but-3-enylideneamino)-2-ethenylbut-2-enyl]-N'-methylethanimidamide?
The IUPAC name of N-[(Z)-3-(but-3-enylideneamino)-2-ethenylbut-2-enyl]-N'-methylethanimidamide (CID 167266192) is N-[(Z)-3-(but-3-enylideneamino)-2-ethenylbut-2-enyl]-N'-methylethanimidamide.
What is the SMILES notation for N-[(Z)-3-(but-3-enylideneamino)-2-ethenylbut-2-enyl]-N'-methylethanimidamide?
The canonical SMILES for N-[(Z)-3-(but-3-enylideneamino)-2-ethenylbut-2-enyl]-N'-methylethanimidamide is C=CC/C=N/C(C)=C(/C=C)CN/C(C)=N/C.
What is the InChIKey of N-[(Z)-3-(but-3-enylideneamino)-2-ethenylbut-2-enyl]-N'-methylethanimidamide?
The InChIKey is DUICFMUNWZHTJJ-IJAPUHMYSA-N. The full InChI is InChI=1S/C13H21N3/c1-6-8-9-15-11(3)13(7-2)10-16-12(4)14-5/h6-7,9H,1-2,8,10H2,3-5H3,(H,14,16)/b13-11-,15-9+.
What are the key properties of N-[(Z)-3-(but-3-enylideneamino)-2-ethenylbut-2-enyl]-N'-methylethanimidamide?
N-[(Z)-3-(but-3-enylideneamino)-2-ethenylbut-2-enyl]-N'-methylethanimidamide has a molecular weight of 219.33 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(but-3-enylideneamino)-2-ethenylbut-2-enyl]-N'-methylethanimidamide is sourced from PubChem (CID 167266192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).