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

C13H28N2 — CID 144528118

IUPACethane;(Z)-2-N-ethyl-4-N-methylidenepent-3-ene-2,4-diimine;propane
SMILESC=N/C(C)=C\C(C)=N\CC.CC.CCC
InChIInChI=1S/C8H14N2.C3H8.C2H6/c1-5-10-8(3)6-7(2)9-4;1-3-2;1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3/b7-6-,10-8+;;
InChIKeyWBBNTYNSJGROIY-CTZBBKKDSA-N
MW212.38 g/mol
LogP4.51
Rot. Bonds3

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

ethane;(Z)-2-N-ethyl-4-N-methylidenepent-3-ene-2,4-diimine;propane (PubChem CID 144528118) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is ethane;(Z)-2-N-ethyl-4-N-methylidenepent-3-ene-2,4-diimine;propane.

Molecular Properties

Compound Nameethane;(Z)-2-N-ethyl-4-N-methylidenepent-3-ene-2,4-diimine;propane
PubChem CID144528118
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Nameethane;(Z)-2-N-ethyl-4-N-methylidenepent-3-ene-2,4-diimine;propane
SMILESC=N/C(C)=C\C(C)=N\CC.CC.CCC
InChIInChI=1S/C8H14N2.C3H8.C2H6/c1-5-10-8(3)6-7(2)9-4;1-3-2;1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3/b7-6-,10-8+;;
InChIKeyWBBNTYNSJGROIY-CTZBBKKDSA-N
XLogP4.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimagnesium;hydride;bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 129892958
manganese(2+);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 162406733
N-pent-2-en-3-ylethanimine
CID 20761973
[(Z)-4-tert-butyliminopent-2-en-2-yl]-methylazanide
CID 58104802
methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide
CID 58104814
tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+)
CID 59137871
(Z)-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782212
(2E)-2-ethylidene-N-methylpyridin-3-imine
CID 68010674
(E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine
CID 71158073
N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560398
2-ethylidene-N-methylpyridin-3-imine
CID 77385875
N-[(Z)-pent-2-en-3-yl]ethanimine
CID 89115805

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-N-ethyl-4-N-methylidenepent-3-ene-2,4-diimine;propane?
The IUPAC name of ethane;(Z)-2-N-ethyl-4-N-methylidenepent-3-ene-2,4-diimine;propane (CID 144528118) is ethane;(Z)-2-N-ethyl-4-N-methylidenepent-3-ene-2,4-diimine;propane.
What is the SMILES notation for ethane;(Z)-2-N-ethyl-4-N-methylidenepent-3-ene-2,4-diimine;propane?
The canonical SMILES for ethane;(Z)-2-N-ethyl-4-N-methylidenepent-3-ene-2,4-diimine;propane is C=N/C(C)=C\C(C)=N\CC.CC.CCC.
What is the InChIKey of ethane;(Z)-2-N-ethyl-4-N-methylidenepent-3-ene-2,4-diimine;propane?
The InChIKey is WBBNTYNSJGROIY-CTZBBKKDSA-N. The full InChI is InChI=1S/C8H14N2.C3H8.C2H6/c1-5-10-8(3)6-7(2)9-4;1-3-2;1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3/b7-6-,10-8+;;.
What are the key properties of ethane;(Z)-2-N-ethyl-4-N-methylidenepent-3-ene-2,4-diimine;propane?
ethane;(Z)-2-N-ethyl-4-N-methylidenepent-3-ene-2,4-diimine;propane has a molecular weight of 212.38 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-N-ethyl-4-N-methylidenepent-3-ene-2,4-diimine;propane is sourced from PubChem (CID 144528118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).