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

C9H14N2 — CID 155073878

IUPAC1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine
SMILESC=CC1=C(/C=N/C)CNCC1
InChIInChI=1S/C9H14N2/c1-3-8-4-5-11-7-9(8)6-10-2/h3,6,11H,1,4-5,7H2,2H3/b10-6+
InChIKeySICHPZIOKPYZLS-UXBLZVDNSA-N
MW150.22 g/mol
LogP1.16
Rot. Bonds2

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

1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine (PubChem CID 155073878) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine
PubChem CID155073878
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine
SMILESC=CC1=C(/C=N/C)CNCC1
InChIInChI=1S/C9H14N2/c1-3-8-4-5-11-7-9(8)6-10-2/h3,6,11H,1,4-5,7H2,2H3/b10-6+
InChIKeySICHPZIOKPYZLS-UXBLZVDNSA-N
XLogP1.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.16
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 1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine?
The IUPAC name of 1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine (CID 155073878) is 1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine?
The canonical SMILES for 1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine is C=CC1=C(/C=N/C)CNCC1.
What is the InChIKey of 1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine?
The InChIKey is SICHPZIOKPYZLS-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-8-4-5-11-7-9(8)6-10-2/h3,6,11H,1,4-5,7H2,2H3/b10-6+.
What are the key properties of 1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine?
1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine has a molecular weight of 150.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine is sourced from PubChem (CID 155073878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).