N-ethyl-N'-methylideneprop-2-ene-1,3-diimine

C6H10N2 — CID 123266656

IUPACN-ethyl-N'-methylideneprop-2-ene-1,3-diimine
SMILESC=NC=C/C=N/CC
InChIInChI=1S/C6H10N2/c1-3-8-6-4-5-7-2/h4-6H,2-3H2,1H3/b5-4?,8-6+
InChIKeyKARCRJWNPGUOHH-MJZAGPDTSA-N
MW110.16 g/mol
LogP1.29
Rot. Bonds3

About N-ethyl-N'-methylideneprop-2-ene-1,3-diimine

N-ethyl-N'-methylideneprop-2-ene-1,3-diimine (PubChem CID 123266656) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N-ethyl-N'-methylideneprop-2-ene-1,3-diimine.

Molecular Properties

Compound NameN-ethyl-N'-methylideneprop-2-ene-1,3-diimine
PubChem CID123266656
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN-ethyl-N'-methylideneprop-2-ene-1,3-diimine
SMILESC=NC=C/C=N/CC
InChIInChI=1S/C6H10N2/c1-3-8-6-4-5-7-2/h4-6H,2-3H2,1H3/b5-4?,8-6+
InChIKeyKARCRJWNPGUOHH-MJZAGPDTSA-N
XLogP1.29
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.29
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 N-ethyl-N'-methylideneprop-2-ene-1,3-diimine?
The IUPAC name of N-ethyl-N'-methylideneprop-2-ene-1,3-diimine (CID 123266656) is N-ethyl-N'-methylideneprop-2-ene-1,3-diimine.
What is the SMILES notation for N-ethyl-N'-methylideneprop-2-ene-1,3-diimine?
The canonical SMILES for N-ethyl-N'-methylideneprop-2-ene-1,3-diimine is C=NC=C/C=N/CC.
What is the InChIKey of N-ethyl-N'-methylideneprop-2-ene-1,3-diimine?
The InChIKey is KARCRJWNPGUOHH-MJZAGPDTSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-8-6-4-5-7-2/h4-6H,2-3H2,1H3/b5-4?,8-6+.
What are the key properties of N-ethyl-N'-methylideneprop-2-ene-1,3-diimine?
N-ethyl-N'-methylideneprop-2-ene-1,3-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methylideneprop-2-ene-1,3-diimine is sourced from PubChem (CID 123266656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).