N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine

C8H12N2 — CID 70267946

IUPACN-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine
SMILESC=CC1=C(N=C)CCNC1
InChIInChI=1S/C8H12N2/c1-3-7-6-10-5-4-8(7)9-2/h3,10H,1-2,4-6H2
InChIKeyIMQAXHPIXHJVBD-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.12
Rot. Bonds2

About N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine

N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine (PubChem CID 70267946) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine.

Molecular Properties

Compound NameN-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine
PubChem CID70267946
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine
SMILESC=CC1=C(N=C)CCNC1
InChIInChI=1S/C8H12N2/c1-3-7-6-10-5-4-8(7)9-2/h3,10H,1-2,4-6H2
InChIKeyIMQAXHPIXHJVBD-UHFFFAOYSA-N
XLogP1.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.12
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 N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine?
The IUPAC name of N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine (CID 70267946) is N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine.
What is the SMILES notation for N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine?
The canonical SMILES for N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine is C=CC1=C(N=C)CCNC1.
What is the InChIKey of N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine?
The InChIKey is IMQAXHPIXHJVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-7-6-10-5-4-8(7)9-2/h3,10H,1-2,4-6H2.
What are the key properties of N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine?
N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine has a molecular weight of 136.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine is sourced from PubChem (CID 70267946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).