ethene;(Z)-N-methyl-1-(3-methylazetidin-1-yl)hex-2-en-1-imine

C13H24N2 — CID 154695609

IUPACethene;(Z)-N-methyl-1-(3-methylazetidin-1-yl)hex-2-en-1-imine
SMILESC=C.CCC/C=C\C(=N/C)N1CC(C)C1
InChIInChI=1S/C11H20N2.C2H4/c1-4-5-6-7-11(12-3)13-8-10(2)9-13;1-2/h6-7,10H,4-5,8-9H2,1-3H3;1-2H2/b7-6-,12-11+;
InChIKeyDSBCGQWSUNIDEF-FJHVZPPQSA-N
MW208.35 g/mol
LogP3.12
Rot. Bonds3

About ethene;(Z)-N-methyl-1-(3-methylazetidin-1-yl)hex-2-en-1-imine

ethene;(Z)-N-methyl-1-(3-methylazetidin-1-yl)hex-2-en-1-imine (PubChem CID 154695609) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethene;(Z)-N-methyl-1-(3-methylazetidin-1-yl)hex-2-en-1-imine.

Molecular Properties

Compound Nameethene;(Z)-N-methyl-1-(3-methylazetidin-1-yl)hex-2-en-1-imine
PubChem CID154695609
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethene;(Z)-N-methyl-1-(3-methylazetidin-1-yl)hex-2-en-1-imine
SMILESC=C.CCC/C=C\C(=N/C)N1CC(C)C1
InChIInChI=1S/C11H20N2.C2H4/c1-4-5-6-7-11(12-3)13-8-10(2)9-13;1-2/h6-7,10H,4-5,8-9H2,1-3H3;1-2H2/b7-6-,12-11+;
InChIKeyDSBCGQWSUNIDEF-FJHVZPPQSA-N
XLogP3.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.12
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 ethene;(Z)-N-methyl-1-(3-methylazetidin-1-yl)hex-2-en-1-imine 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 ethene;(Z)-N-methyl-1-(3-methylazetidin-1-yl)hex-2-en-1-imine?
The IUPAC name of ethene;(Z)-N-methyl-1-(3-methylazetidin-1-yl)hex-2-en-1-imine (CID 154695609) is ethene;(Z)-N-methyl-1-(3-methylazetidin-1-yl)hex-2-en-1-imine.
What is the SMILES notation for ethene;(Z)-N-methyl-1-(3-methylazetidin-1-yl)hex-2-en-1-imine?
The canonical SMILES for ethene;(Z)-N-methyl-1-(3-methylazetidin-1-yl)hex-2-en-1-imine is C=C.CCC/C=C\C(=N/C)N1CC(C)C1.
What is the InChIKey of ethene;(Z)-N-methyl-1-(3-methylazetidin-1-yl)hex-2-en-1-imine?
The InChIKey is DSBCGQWSUNIDEF-FJHVZPPQSA-N. The full InChI is InChI=1S/C11H20N2.C2H4/c1-4-5-6-7-11(12-3)13-8-10(2)9-13;1-2/h6-7,10H,4-5,8-9H2,1-3H3;1-2H2/b7-6-,12-11+;.
What are the key properties of ethene;(Z)-N-methyl-1-(3-methylazetidin-1-yl)hex-2-en-1-imine?
ethene;(Z)-N-methyl-1-(3-methylazetidin-1-yl)hex-2-en-1-imine has a molecular weight of 208.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(Z)-N-methyl-1-(3-methylazetidin-1-yl)hex-2-en-1-imine is sourced from PubChem (CID 154695609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).