ethane;(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine

C13H24N2 — CID 145149515

IUPACethane;(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine
SMILESC=C/N=C(\C=C/C)N1CCCCC1.CC
InChIInChI=1S/C11H18N2.C2H6/c1-3-8-11(12-4-2)13-9-6-5-7-10-13;1-2/h3-4,8H,2,5-7,9-10H2,1H3;1-2H3/b8-3-,12-11+;
InChIKeyXAQIHGJUQARNNA-IMMCIOBJSA-N
MW208.35 g/mol
LogP3.62
Rot. Bonds2

About ethane;(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine

ethane;(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine (PubChem CID 145149515) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethane;(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine
PubChem CID145149515
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethane;(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine
SMILESC=C/N=C(\C=C/C)N1CCCCC1.CC
InChIInChI=1S/C11H18N2.C2H6/c1-3-8-11(12-4-2)13-9-6-5-7-10-13;1-2/h3-4,8H,2,5-7,9-10H2,1H3;1-2H3/b8-3-,12-11+;
InChIKeyXAQIHGJUQARNNA-IMMCIOBJSA-N
XLogP3.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine?
The IUPAC name of ethane;(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine (CID 145149515) is ethane;(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine?
The canonical SMILES for ethane;(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine is C=C/N=C(\C=C/C)N1CCCCC1.CC.
What is the InChIKey of ethane;(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine?
The InChIKey is XAQIHGJUQARNNA-IMMCIOBJSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-3-8-11(12-4-2)13-9-6-5-7-10-13;1-2/h3-4,8H,2,5-7,9-10H2,1H3;1-2H3/b8-3-,12-11+;.
What are the key properties of ethane;(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine?
ethane;(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine has a molecular weight of 208.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine is sourced from PubChem (CID 145149515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).