ethane;(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine

C9H18N2 — CID 142079882

IUPACethane;(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine
SMILESC=N/C=C(C)\C=N\CC.CC
InChIInChI=1S/C7H12N2.C2H6/c1-4-9-6-7(2)5-8-3;1-2/h5-6H,3-4H2,1-2H3;1-2H3/b7-5-,9-6+;
InChIKeyKCSQPTYYBCPJNM-UKRQJTKBSA-N
MW154.26 g/mol
LogP2.71
Rot. Bonds3

About ethane;(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine

ethane;(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine (PubChem CID 142079882) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine.

Molecular Properties

Compound Nameethane;(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine
PubChem CID142079882
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine
SMILESC=N/C=C(C)\C=N\CC.CC
InChIInChI=1S/C7H12N2.C2H6/c1-4-9-6-7(2)5-8-3;1-2/h5-6H,3-4H2,1-2H3;1-2H3/b7-5-,9-6+;
InChIKeyKCSQPTYYBCPJNM-UKRQJTKBSA-N
XLogP2.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine?
The IUPAC name of ethane;(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine (CID 142079882) is ethane;(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine.
What is the SMILES notation for ethane;(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine?
The canonical SMILES for ethane;(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine is C=N/C=C(C)\C=N\CC.CC.
What is the InChIKey of ethane;(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine?
The InChIKey is KCSQPTYYBCPJNM-UKRQJTKBSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-4-9-6-7(2)5-8-3;1-2/h5-6H,3-4H2,1-2H3;1-2H3/b7-5-,9-6+;.
What are the key properties of ethane;(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine?
ethane;(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine has a molecular weight of 154.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine is sourced from PubChem (CID 142079882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).