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

C8H12N2 — CID 147509601

IUPACN-ethenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine
SMILESC=C/N=C/C1=CCNCC1
InChIInChI=1S/C8H12N2/c1-2-9-7-8-3-5-10-6-4-8/h2-3,7,10H,1,4-6H2/b9-7+
InChIKeyFJAONHZPXITOMD-VQHVLOKHSA-N
MW136.20 g/mol
LogP1.12
Rot. Bonds2

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

N-ethenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine (PubChem CID 147509601) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-ethenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine.

Molecular Properties

Compound NameN-ethenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine
PubChem CID147509601
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-ethenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine
SMILESC=C/N=C/C1=CCNCC1
InChIInChI=1S/C8H12N2/c1-2-9-7-8-3-5-10-6-4-8/h2-3,7,10H,1,4-6H2/b9-7+
InChIKeyFJAONHZPXITOMD-VQHVLOKHSA-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-ethenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine?
The IUPAC name of N-ethenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine (CID 147509601) is N-ethenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine.
What is the SMILES notation for N-ethenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine?
The canonical SMILES for N-ethenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine is C=C/N=C/C1=CCNCC1.
What is the InChIKey of N-ethenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine?
The InChIKey is FJAONHZPXITOMD-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-9-7-8-3-5-10-6-4-8/h2-3,7,10H,1,4-6H2/b9-7+.
What are the key properties of N-ethenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine?
N-ethenyl-1-(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-ethenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)methanimine is sourced from PubChem (CID 147509601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).