ethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine

C13H30N2 — CID 143330419

IUPACethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine
SMILESC=N/C(C)=C\C(C)=N\C.CC.CC.CC
InChIInChI=1S/C7H12N2.3C2H6/c1-6(8-3)5-7(2)9-4;3*1-2/h5H,3H2,1-2,4H3;3*1-2H3/b6-5-,9-7+;;;
InChIKeyCTGFBLSIEUCTMC-LAQJPSDGSA-N
MW214.40 g/mol
LogP4.76
Rot. Bonds2

About ethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine

ethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine (PubChem CID 143330419) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is ethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine.

Molecular Properties

Compound Nameethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine
PubChem CID143330419
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Nameethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine
SMILESC=N/C(C)=C\C(C)=N\C.CC.CC.CC
InChIInChI=1S/C7H12N2.3C2H6/c1-6(8-3)5-7(2)9-4;3*1-2/h5H,3H2,1-2,4H3;3*1-2H3/b6-5-,9-7+;;;
InChIKeyCTGFBLSIEUCTMC-LAQJPSDGSA-N
XLogP4.76
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine 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 ethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine?
The IUPAC name of ethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine (CID 143330419) is ethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine.
What is the SMILES notation for ethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine?
The canonical SMILES for ethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine is C=N/C(C)=C\C(C)=N\C.CC.CC.CC.
What is the InChIKey of ethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine?
The InChIKey is CTGFBLSIEUCTMC-LAQJPSDGSA-N. The full InChI is InChI=1S/C7H12N2.3C2H6/c1-6(8-3)5-7(2)9-4;3*1-2/h5H,3H2,1-2,4H3;3*1-2H3/b6-5-,9-7+;;;.
What are the key properties of ethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine?
ethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine has a molecular weight of 214.40 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine is sourced from PubChem (CID 143330419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).