6-methyl-4,5-dihydroazocine

C8H11N — CID 91559276

IUPAC6-methyl-4,5-dihydroazocine
SMILESCC1=C/C=N\C=CCC1
InChIInChI=1S/C8H11N/c1-8-4-2-3-6-9-7-5-8/h3,5-7H,2,4H2,1H3/b6-3?,8-5?,9-7-
InChIKeyCTZNQWDTHBRIJF-IGZQJDKMSA-N
MW121.18 g/mol
LogP2.31
Rot. Bonds

About 6-methyl-4,5-dihydroazocine

6-methyl-4,5-dihydroazocine (PubChem CID 91559276) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 6-methyl-4,5-dihydroazocine.

Molecular Properties

Compound Name6-methyl-4,5-dihydroazocine
PubChem CID91559276
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name6-methyl-4,5-dihydroazocine
SMILESCC1=C/C=N\C=CCC1
InChIInChI=1S/C8H11N/c1-8-4-2-3-6-9-7-5-8/h3,5-7H,2,4H2,1H3/b6-3?,8-5?,9-7-
InChIKeyCTZNQWDTHBRIJF-IGZQJDKMSA-N
XLogP2.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzazocine
CID 19879720
(2E,6E)-3-methyl-6-(trifluoromethyl)-4,5-dihydroazocine
CID 130243053
(E)-N-[(Z)-1-fluoropent-1-enyl]-3-methylhex-2-en-1-imine
CID 173678455
(1Z,4Z,6Z)-3-benzazocine
CID 23636835
(2Z,6Z)-4,5-dihydroazocine
CID 18424410
CID 54211489
CID 54211489
3-Pentylazocine
CID 57204352
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
(2Z)-4,5-dihydroazocine
CID 69985738
4,5-Dihydroazocine
CID 69985740
N,3-dimethylhex-2-en-1-imine
CID 73829296
N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine
CID 88906035

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5-dihydroazocine?
The IUPAC name of 6-methyl-4,5-dihydroazocine (CID 91559276) is 6-methyl-4,5-dihydroazocine.
What is the SMILES notation for 6-methyl-4,5-dihydroazocine?
The canonical SMILES for 6-methyl-4,5-dihydroazocine is CC1=C/C=N\C=CCC1.
What is the InChIKey of 6-methyl-4,5-dihydroazocine?
The InChIKey is CTZNQWDTHBRIJF-IGZQJDKMSA-N. The full InChI is InChI=1S/C8H11N/c1-8-4-2-3-6-9-7-5-8/h3,5-7H,2,4H2,1H3/b6-3?,8-5?,9-7-.
What are the key properties of 6-methyl-4,5-dihydroazocine?
6-methyl-4,5-dihydroazocine has a molecular weight of 121.18 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5-dihydroazocine is sourced from PubChem (CID 91559276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).