ethane;N-(4-ethenyl-1,2-dihydropyridin-3-yl)ethanimine

C13H24N2 — CID 142388805

IUPACethane;N-(4-ethenyl-1,2-dihydropyridin-3-yl)ethanimine
SMILESC=CC1=C(/N=C/C)CNC=C1.CC.CC
InChIInChI=1S/C9H12N2.2C2H6/c1-3-8-5-6-10-7-9(8)11-4-2;2*1-2/h3-6,10H,1,7H2,2H3;2*1-2H3/b11-4+;;
InChIKeyJMGRIXKKVRGOSE-QKBHCULISA-N
MW208.35 g/mol
LogP3.69
Rot. Bonds2

About ethane;N-(4-ethenyl-1,2-dihydropyridin-3-yl)ethanimine

ethane;N-(4-ethenyl-1,2-dihydropyridin-3-yl)ethanimine (PubChem CID 142388805) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethane;N-(4-ethenyl-1,2-dihydropyridin-3-yl)ethanimine.

Molecular Properties

Compound Nameethane;N-(4-ethenyl-1,2-dihydropyridin-3-yl)ethanimine
PubChem CID142388805
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethane;N-(4-ethenyl-1,2-dihydropyridin-3-yl)ethanimine
SMILESC=CC1=C(/N=C/C)CNC=C1.CC.CC
InChIInChI=1S/C9H12N2.2C2H6/c1-3-8-5-6-10-7-9(8)11-4-2;2*1-2/h3-6,10H,1,7H2,2H3;2*1-2H3/b11-4+;;
InChIKeyJMGRIXKKVRGOSE-QKBHCULISA-N
XLogP3.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.69
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;N-(4-ethenyl-1,2-dihydropyridin-3-yl)ethanimine?
The IUPAC name of ethane;N-(4-ethenyl-1,2-dihydropyridin-3-yl)ethanimine (CID 142388805) is ethane;N-(4-ethenyl-1,2-dihydropyridin-3-yl)ethanimine.
What is the SMILES notation for ethane;N-(4-ethenyl-1,2-dihydropyridin-3-yl)ethanimine?
The canonical SMILES for ethane;N-(4-ethenyl-1,2-dihydropyridin-3-yl)ethanimine is C=CC1=C(/N=C/C)CNC=C1.CC.CC.
What is the InChIKey of ethane;N-(4-ethenyl-1,2-dihydropyridin-3-yl)ethanimine?
The InChIKey is JMGRIXKKVRGOSE-QKBHCULISA-N. The full InChI is InChI=1S/C9H12N2.2C2H6/c1-3-8-5-6-10-7-9(8)11-4-2;2*1-2/h3-6,10H,1,7H2,2H3;2*1-2H3/b11-4+;;.
What are the key properties of ethane;N-(4-ethenyl-1,2-dihydropyridin-3-yl)ethanimine?
ethane;N-(4-ethenyl-1,2-dihydropyridin-3-yl)ethanimine has a molecular weight of 208.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-ethenyl-1,2-dihydropyridin-3-yl)ethanimine is sourced from PubChem (CID 142388805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).