ethane;N-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine

C13H24N2 — CID 142302140

IUPACethane;N-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine
SMILESC=CC1=C(N=C)NC(C)C=C1.CC.CC
InChIInChI=1S/C9H12N2.2C2H6/c1-4-8-6-5-7(2)11-9(8)10-3;2*1-2/h4-7,11H,1,3H2,2H3;2*1-2H3
InChIKeyHJVFMXHIXJGTGC-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.68
Rot. Bonds2

About ethane;N-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine

ethane;N-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine (PubChem CID 142302140) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethane;N-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine
PubChem CID142302140
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethane;N-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine
SMILESC=CC1=C(N=C)NC(C)C=C1.CC.CC
InChIInChI=1S/C9H12N2.2C2H6/c1-4-8-6-5-7(2)11-9(8)10-3;2*1-2/h4-7,11H,1,3H2,2H3;2*1-2H3
InChIKeyHJVFMXHIXJGTGC-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine?
The IUPAC name of ethane;N-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine (CID 142302140) is ethane;N-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine.
What is the SMILES notation for ethane;N-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine?
The canonical SMILES for ethane;N-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine is C=CC1=C(N=C)NC(C)C=C1.CC.CC.
What is the InChIKey of ethane;N-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine?
The InChIKey is HJVFMXHIXJGTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.2C2H6/c1-4-8-6-5-7(2)11-9(8)10-3;2*1-2/h4-7,11H,1,3H2,2H3;2*1-2H3.
What are the key properties of ethane;N-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine?
ethane;N-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine has a molecular weight of 208.35 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine is sourced from PubChem (CID 142302140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).