4,6-dimethyl-3,4-dihydroazocine

C9H13N — CID 123343647

IUPAC4,6-dimethyl-3,4-dihydroazocine
SMILESCC1=CC(C)C/C=N\C=C1
InChIInChI=1S/C9H13N/c1-8-3-5-10-6-4-9(2)7-8/h3,5-7,9H,4H2,1-2H3/b5-3?,8-7?,10-6-
InChIKeyKCYXXIOYEAHVQP-GAJLJIFTSA-N
MW135.21 g/mol
LogP2.56
Rot. Bonds

About 4,6-dimethyl-3,4-dihydroazocine

4,6-dimethyl-3,4-dihydroazocine (PubChem CID 123343647) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4,6-dimethyl-3,4-dihydroazocine.

Molecular Properties

Compound Name4,6-dimethyl-3,4-dihydroazocine
PubChem CID123343647
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4,6-dimethyl-3,4-dihydroazocine
SMILESCC1=CC(C)C/C=N\C=C1
InChIInChI=1S/C9H13N/c1-8-3-5-10-6-4-9(2)7-8/h3,5-7,9H,4H2,1-2H3/b5-3?,8-7?,10-6-
InChIKeyKCYXXIOYEAHVQP-GAJLJIFTSA-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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Related Compounds

3aH-Isoindol
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Benzazocine
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(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
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(4E)-4-[(3Z,5Z)-7-fluoro-3-methyl-2-methylidenehepta-3,5-dienylidene]-3H-pyridine
CID 156341896
3,6-ditert-butyl-3H-azepine
CID 10987408
(1Z,4Z,6Z)-3-benzazocine
CID 23636835
3,5-ditert-butyl-3H-azepine
CID 134891208
3,6-dimethyl-3H-azepine
CID 10103165
3-Azabicyclo[4.1.0]hepta-2,4,6-triene
CID 45079532
6-propyl-3H-azepine
CID 53671035
3,4-Dihydroazocine
CID 53716428
CID 54211489
CID 54211489

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3,4-dihydroazocine?
The IUPAC name of 4,6-dimethyl-3,4-dihydroazocine (CID 123343647) is 4,6-dimethyl-3,4-dihydroazocine.
What is the SMILES notation for 4,6-dimethyl-3,4-dihydroazocine?
The canonical SMILES for 4,6-dimethyl-3,4-dihydroazocine is CC1=CC(C)C/C=N\C=C1.
What is the InChIKey of 4,6-dimethyl-3,4-dihydroazocine?
The InChIKey is KCYXXIOYEAHVQP-GAJLJIFTSA-N. The full InChI is InChI=1S/C9H13N/c1-8-3-5-10-6-4-9(2)7-8/h3,5-7,9H,4H2,1-2H3/b5-3?,8-7?,10-6-.
What are the key properties of 4,6-dimethyl-3,4-dihydroazocine?
4,6-dimethyl-3,4-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 4,6-dimethyl-3,4-dihydroazocine is sourced from PubChem (CID 123343647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).