(Z)-N-ethyl-N'-methylidene-2-piperidin-4-ylprop-2-ene-1,3-diimine

C11H19N3 — CID 163401538

IUPAC(Z)-N-ethyl-N'-methylidene-2-piperidin-4-ylprop-2-ene-1,3-diimine
SMILESC=N/C=C(\C=N\CC)C1CCNCC1
InChIInChI=1S/C11H19N3/c1-3-13-9-11(8-12-2)10-4-6-14-7-5-10/h8-10,14H,2-7H2,1H3/b11-8+,13-9+
InChIKeyTXOFQKZIPZZBHO-BLTLMDCKSA-N
MW193.29 g/mol
LogP1.66
Rot. Bonds4

About (Z)-N-ethyl-N'-methylidene-2-piperidin-4-ylprop-2-ene-1,3-diimine

(Z)-N-ethyl-N'-methylidene-2-piperidin-4-ylprop-2-ene-1,3-diimine (PubChem CID 163401538) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (Z)-N-ethyl-N'-methylidene-2-piperidin-4-ylprop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-N-ethyl-N'-methylidene-2-piperidin-4-ylprop-2-ene-1,3-diimine
PubChem CID163401538
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(Z)-N-ethyl-N'-methylidene-2-piperidin-4-ylprop-2-ene-1,3-diimine
SMILESC=N/C=C(\C=N\CC)C1CCNCC1
InChIInChI=1S/C11H19N3/c1-3-13-9-11(8-12-2)10-4-6-14-7-5-10/h8-10,14H,2-7H2,1H3/b11-8+,13-9+
InChIKeyTXOFQKZIPZZBHO-BLTLMDCKSA-N
XLogP1.66
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (Z)-N-ethyl-N'-methylidene-2-piperidin-4-ylprop-2-ene-1,3-diimine?
The IUPAC name of (Z)-N-ethyl-N'-methylidene-2-piperidin-4-ylprop-2-ene-1,3-diimine (CID 163401538) is (Z)-N-ethyl-N'-methylidene-2-piperidin-4-ylprop-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-N-ethyl-N'-methylidene-2-piperidin-4-ylprop-2-ene-1,3-diimine?
The canonical SMILES for (Z)-N-ethyl-N'-methylidene-2-piperidin-4-ylprop-2-ene-1,3-diimine is C=N/C=C(\C=N\CC)C1CCNCC1.
What is the InChIKey of (Z)-N-ethyl-N'-methylidene-2-piperidin-4-ylprop-2-ene-1,3-diimine?
The InChIKey is TXOFQKZIPZZBHO-BLTLMDCKSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-13-9-11(8-12-2)10-4-6-14-7-5-10/h8-10,14H,2-7H2,1H3/b11-8+,13-9+.
What are the key properties of (Z)-N-ethyl-N'-methylidene-2-piperidin-4-ylprop-2-ene-1,3-diimine?
(Z)-N-ethyl-N'-methylidene-2-piperidin-4-ylprop-2-ene-1,3-diimine has a molecular weight of 193.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-N'-methylidene-2-piperidin-4-ylprop-2-ene-1,3-diimine is sourced from PubChem (CID 163401538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).