2-(4-ethylidenepiperidin-1-yl)ethanimine

C9H16N2 — CID 129270348

IUPAC2-(4-ethylidenepiperidin-1-yl)ethanimine
SMILES[H]/N=C/CN1CCC(=CC)CC1
InChIInChI=1S/C9H16N2/c1-2-9-3-6-11(7-4-9)8-5-10/h2,5,10H,3-4,6-8H2,1H3/b10-5+
InChIKeyLDRXYKYHXICYHZ-BJMVGYQFSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds2

About 2-(4-ethylidenepiperidin-1-yl)ethanimine

2-(4-ethylidenepiperidin-1-yl)ethanimine (PubChem CID 129270348) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(4-ethylidenepiperidin-1-yl)ethanimine.

Molecular Properties

Compound Name2-(4-ethylidenepiperidin-1-yl)ethanimine
PubChem CID129270348
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-(4-ethylidenepiperidin-1-yl)ethanimine
SMILES[H]/N=C/CN1CCC(=CC)CC1
InChIInChI=1S/C9H16N2/c1-2-9-3-6-11(7-4-9)8-5-10/h2,5,10H,3-4,6-8H2,1H3/b10-5+
InChIKeyLDRXYKYHXICYHZ-BJMVGYQFSA-N
XLogP1.68
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylidenepiperidin-1-yl)ethanimine?
The IUPAC name of 2-(4-ethylidenepiperidin-1-yl)ethanimine (CID 129270348) is 2-(4-ethylidenepiperidin-1-yl)ethanimine.
What is the SMILES notation for 2-(4-ethylidenepiperidin-1-yl)ethanimine?
The canonical SMILES for 2-(4-ethylidenepiperidin-1-yl)ethanimine is [H]/N=C/CN1CCC(=CC)CC1.
What is the InChIKey of 2-(4-ethylidenepiperidin-1-yl)ethanimine?
The InChIKey is LDRXYKYHXICYHZ-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-9-3-6-11(7-4-9)8-5-10/h2,5,10H,3-4,6-8H2,1H3/b10-5+.
What are the key properties of 2-(4-ethylidenepiperidin-1-yl)ethanimine?
2-(4-ethylidenepiperidin-1-yl)ethanimine has a molecular weight of 152.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylidenepiperidin-1-yl)ethanimine is sourced from PubChem (CID 129270348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).