1-(4-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine

C10H16N2 — CID 144797699

IUPAC1-(4-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine
SMILESC=CC1=C(/C=N/C)CN(C)CC1
InChIInChI=1S/C10H16N2/c1-4-9-5-6-12(3)8-10(9)7-11-2/h4,7H,1,5-6,8H2,2-3H3/b11-7+
InChIKeyISMFUNLTEIVXQA-YRNVUSSQSA-N
MW164.25 g/mol
LogP1.51
Rot. Bonds2

About 1-(4-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine

1-(4-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine (PubChem CID 144797699) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(4-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(4-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine
PubChem CID144797699
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-(4-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine
SMILESC=CC1=C(/C=N/C)CN(C)CC1
InChIInChI=1S/C10H16N2/c1-4-9-5-6-12(3)8-10(9)7-11-2/h4,7H,1,5-6,8H2,2-3H3/b11-7+
InChIKeyISMFUNLTEIVXQA-YRNVUSSQSA-N
XLogP1.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.51
H-Bond Donors ≤ 50
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-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine?
The IUPAC name of 1-(4-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine (CID 144797699) is 1-(4-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(4-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine?
The canonical SMILES for 1-(4-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine is C=CC1=C(/C=N/C)CN(C)CC1.
What is the InChIKey of 1-(4-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine?
The InChIKey is ISMFUNLTEIVXQA-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-9-5-6-12(3)8-10(9)7-11-2/h4,7H,1,5-6,8H2,2-3H3/b11-7+.
What are the key properties of 1-(4-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine?
1-(4-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine has a molecular weight of 164.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine is sourced from PubChem (CID 144797699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).