5-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine

C15H18N2 — CID 91516061

IUPAC5-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine
SMILESC=C1C=CC(C2=CC(C)CC=C/N=C\2)=CN1C
InChIInChI=1S/C15H18N2/c1-12-5-4-8-16-10-15(9-12)14-7-6-13(2)17(3)11-14/h4,6-12H,2,5H2,1,3H3/b8-4?,15-9?,16-10-
InChIKeyNINLUYQGIVDERO-LWSNSGNYSA-N
MW226.32 g/mol
LogP3.44
Rot. Bonds1

About 5-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine

5-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine (PubChem CID 91516061) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine.

Molecular Properties

Compound Name5-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine
PubChem CID91516061
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name5-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine
SMILESC=C1C=CC(C2=CC(C)CC=C/N=C\2)=CN1C
InChIInChI=1S/C15H18N2/c1-12-5-4-8-16-10-15(9-12)14-7-6-13(2)17(3)11-14/h4,6-12H,2,5H2,1,3H3/b8-4?,15-9?,16-10-
InChIKeyNINLUYQGIVDERO-LWSNSGNYSA-N
XLogP3.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2-methylpropyl)-8H-cyclohepta[c]pyridin-2-ium
CID 91342098
But-2-en-2-yl-(cyclohexa-1,5-dien-1-ylmethylidene)-methylazanium
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine?
The IUPAC name of 5-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine (CID 91516061) is 5-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine.
What is the SMILES notation for 5-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine?
The canonical SMILES for 5-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine is C=C1C=CC(C2=CC(C)CC=C/N=C\2)=CN1C.
What is the InChIKey of 5-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine?
The InChIKey is NINLUYQGIVDERO-LWSNSGNYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-5-4-8-16-10-15(9-12)14-7-6-13(2)17(3)11-14/h4,6-12H,2,5H2,1,3H3/b8-4?,15-9?,16-10-.
What are the key properties of 5-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine?
5-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine has a molecular weight of 226.32 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine is sourced from PubChem (CID 91516061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).