ethane;(2E)-N-ethenyl-2-ethylidenepiperidin-3-imine

C11H20N2 — CID 171622319

IUPACethane;(2E)-N-ethenyl-2-ethylidenepiperidin-3-imine
SMILESC=C/N=C1\CCCN\C1=C\C.CC
InChIInChI=1S/C9H14N2.C2H6/c1-3-8-9(10-4-2)6-5-7-11-8;1-2/h3-4,11H,2,5-7H2,1H3;1-2H3/b8-3+,10-9+;
InChIKeyRBPLLVAWEVWDPO-UXGAOSKKSA-N
MW180.29 g/mol
LogP2.88
Rot. Bonds1

About ethane;(2E)-N-ethenyl-2-ethylidenepiperidin-3-imine

ethane;(2E)-N-ethenyl-2-ethylidenepiperidin-3-imine (PubChem CID 171622319) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;(2E)-N-ethenyl-2-ethylidenepiperidin-3-imine.

Molecular Properties

Compound Nameethane;(2E)-N-ethenyl-2-ethylidenepiperidin-3-imine
PubChem CID171622319
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;(2E)-N-ethenyl-2-ethylidenepiperidin-3-imine
SMILESC=C/N=C1\CCCN\C1=C\C.CC
InChIInChI=1S/C9H14N2.C2H6/c1-3-8-9(10-4-2)6-5-7-11-8;1-2/h3-4,11H,2,5-7H2,1H3;1-2H3/b8-3+,10-9+;
InChIKeyRBPLLVAWEVWDPO-UXGAOSKKSA-N
XLogP2.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
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;(2E)-N-ethenyl-2-ethylidenepiperidin-3-imine?
The IUPAC name of ethane;(2E)-N-ethenyl-2-ethylidenepiperidin-3-imine (CID 171622319) is ethane;(2E)-N-ethenyl-2-ethylidenepiperidin-3-imine.
What is the SMILES notation for ethane;(2E)-N-ethenyl-2-ethylidenepiperidin-3-imine?
The canonical SMILES for ethane;(2E)-N-ethenyl-2-ethylidenepiperidin-3-imine is C=C/N=C1\CCCN\C1=C\C.CC.
What is the InChIKey of ethane;(2E)-N-ethenyl-2-ethylidenepiperidin-3-imine?
The InChIKey is RBPLLVAWEVWDPO-UXGAOSKKSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-3-8-9(10-4-2)6-5-7-11-8;1-2/h3-4,11H,2,5-7H2,1H3;1-2H3/b8-3+,10-9+;.
What are the key properties of ethane;(2E)-N-ethenyl-2-ethylidenepiperidin-3-imine?
ethane;(2E)-N-ethenyl-2-ethylidenepiperidin-3-imine has a molecular weight of 180.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-N-ethenyl-2-ethylidenepiperidin-3-imine is sourced from PubChem (CID 171622319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).