5,6-dimethyl-4,5-dihydroazocine

C9H13N — CID 123387731

IUPAC5,6-dimethyl-4,5-dihydroazocine
SMILESCC1=C/C=N\C=CCC1C
InChIInChI=1S/C9H13N/c1-8-4-3-6-10-7-5-9(8)2/h3,5-8H,4H2,1-2H3/b6-3?,9-5?,10-7-
InChIKeyFZWRQQFBTJYKNZ-CCGSTMNSSA-N
MW135.21 g/mol
LogP2.56
Rot. Bonds

About 5,6-dimethyl-4,5-dihydroazocine

5,6-dimethyl-4,5-dihydroazocine (PubChem CID 123387731) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 5,6-dimethyl-4,5-dihydroazocine.

Molecular Properties

Compound Name5,6-dimethyl-4,5-dihydroazocine
PubChem CID123387731
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name5,6-dimethyl-4,5-dihydroazocine
SMILESCC1=C/C=N\C=CCC1C
InChIInChI=1S/C9H13N/c1-8-4-3-6-10-7-5-9(8)2/h3,5-8H,4H2,1-2H3/b6-3?,9-5?,10-7-
InChIKeyFZWRQQFBTJYKNZ-CCGSTMNSSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4,5-dihydroazocine?
The IUPAC name of 5,6-dimethyl-4,5-dihydroazocine (CID 123387731) is 5,6-dimethyl-4,5-dihydroazocine.
What is the SMILES notation for 5,6-dimethyl-4,5-dihydroazocine?
The canonical SMILES for 5,6-dimethyl-4,5-dihydroazocine is CC1=C/C=N\C=CCC1C.
What is the InChIKey of 5,6-dimethyl-4,5-dihydroazocine?
The InChIKey is FZWRQQFBTJYKNZ-CCGSTMNSSA-N. The full InChI is InChI=1S/C9H13N/c1-8-4-3-6-10-7-5-9(8)2/h3,5-8H,4H2,1-2H3/b6-3?,9-5?,10-7-.
What are the key properties of 5,6-dimethyl-4,5-dihydroazocine?
5,6-dimethyl-4,5-dihydroazocine has a molecular weight of 135.21 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4,5-dihydroazocine is sourced from PubChem (CID 123387731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).