3-methyl-6-(3-methyl-3,4-dihydropyridin-6-yl)-4,5-dihydroazocine

C14H18N2 — CID 123985620

IUPAC3-methyl-6-(3-methyl-3,4-dihydropyridin-6-yl)-4,5-dihydroazocine
SMILESCC1=C/N=C\C=C(C2=CCC(C)C=N2)CC1
InChIInChI=1S/C14H18N2/c1-11-3-5-13(7-8-15-9-11)14-6-4-12(2)10-16-14/h6-10,12H,3-5H2,1-2H3/b11-9?,13-7?,15-8-
InChIKeyKODPBONIBSOLIO-MEQMAQTESA-N
MW214.31 g/mol
LogP3.68
Rot. Bonds1

About 3-methyl-6-(3-methyl-3,4-dihydropyridin-6-yl)-4,5-dihydroazocine

3-methyl-6-(3-methyl-3,4-dihydropyridin-6-yl)-4,5-dihydroazocine (PubChem CID 123985620) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-methyl-6-(3-methyl-3,4-dihydropyridin-6-yl)-4,5-dihydroazocine.

Molecular Properties

Compound Name3-methyl-6-(3-methyl-3,4-dihydropyridin-6-yl)-4,5-dihydroazocine
PubChem CID123985620
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-methyl-6-(3-methyl-3,4-dihydropyridin-6-yl)-4,5-dihydroazocine
SMILESCC1=C/N=C\C=C(C2=CCC(C)C=N2)CC1
InChIInChI=1S/C14H18N2/c1-11-3-5-13(7-8-15-9-11)14-6-4-12(2)10-16-14/h6-10,12H,3-5H2,1-2H3/b11-9?,13-7?,15-8-
InChIKeyKODPBONIBSOLIO-MEQMAQTESA-N
XLogP3.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dipropylcyclopenta[b]pyrrole
CID 21095412
6-Pentyl-2,5-benzodiazocine
CID 67860016
6-Cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine
CID 91311127
2,3-Di(ethylidene)-4-propan-2-ylpyridine
CID 91324852
5-Methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine
CID 91516061
5-[(3Z)-2,3-di(ethylidene)-4-pyridinyl]-1-methyl-4H-pyridazine
CID 123384783
N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine
CID 123728820
7-(3,5-dimethylcyclohexa-1,4-dien-1-yl)-3H-azepine
CID 123780404
(4Z)-4-(cyclohexylmethylidene)-6aH-pyrrolo[3,4-c]pyrrole
CID 123802175
4-Butyl-2,3-dimethylidenepyridine
CID 123844863
N-[(2E)-7-(3,4-dihydropyridin-6-yl)-3,4-dimethyl-6-prop-1-enyldeca-2,6,9-trien-2-yl]ethanimine
CID 123899882
N-(3-ethyl-6-methylcyclohexa-1,5-dien-1-yl)propan-1-imine
CID 123970339

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(3-methyl-3,4-dihydropyridin-6-yl)-4,5-dihydroazocine?
The IUPAC name of 3-methyl-6-(3-methyl-3,4-dihydropyridin-6-yl)-4,5-dihydroazocine (CID 123985620) is 3-methyl-6-(3-methyl-3,4-dihydropyridin-6-yl)-4,5-dihydroazocine.
What is the SMILES notation for 3-methyl-6-(3-methyl-3,4-dihydropyridin-6-yl)-4,5-dihydroazocine?
The canonical SMILES for 3-methyl-6-(3-methyl-3,4-dihydropyridin-6-yl)-4,5-dihydroazocine is CC1=C/N=C\C=C(C2=CCC(C)C=N2)CC1.
What is the InChIKey of 3-methyl-6-(3-methyl-3,4-dihydropyridin-6-yl)-4,5-dihydroazocine?
The InChIKey is KODPBONIBSOLIO-MEQMAQTESA-N. The full InChI is InChI=1S/C14H18N2/c1-11-3-5-13(7-8-15-9-11)14-6-4-12(2)10-16-14/h6-10,12H,3-5H2,1-2H3/b11-9?,13-7?,15-8-.
What are the key properties of 3-methyl-6-(3-methyl-3,4-dihydropyridin-6-yl)-4,5-dihydroazocine?
3-methyl-6-(3-methyl-3,4-dihydropyridin-6-yl)-4,5-dihydroazocine has a molecular weight of 214.31 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(3-methyl-3,4-dihydropyridin-6-yl)-4,5-dihydroazocine is sourced from PubChem (CID 123985620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).