2,6-dimethyl-4,5-dihydroazocine

C9H13N — CID 123211440

IUPAC2,6-dimethyl-4,5-dihydroazocine
SMILESCC1=C/C=N\C(C)=CCC1
InChIInChI=1S/C9H13N/c1-8-4-3-5-9(2)10-7-6-8/h5-7H,3-4H2,1-2H3/b8-6?,9-5?,10-7-
InChIKeyAWHNVEBUWYLCPI-JHNNTLIUSA-N
MW135.21 g/mol
LogP2.70
Rot. Bonds

About 2,6-dimethyl-4,5-dihydroazocine

2,6-dimethyl-4,5-dihydroazocine (PubChem CID 123211440) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2,6-dimethyl-4,5-dihydroazocine.

Molecular Properties

Compound Name2,6-dimethyl-4,5-dihydroazocine
PubChem CID123211440
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2,6-dimethyl-4,5-dihydroazocine
SMILESCC1=C/C=N\C(C)=CCC1
InChIInChI=1S/C9H13N/c1-8-4-3-5-9(2)10-7-6-8/h5-7H,3-4H2,1-2H3/b8-6?,9-5?,10-7-
InChIKeyAWHNVEBUWYLCPI-JHNNTLIUSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine
CID 171492771
(2Z,6E)-7-(1,1-difluoroethyl)-2-methyl-4,5-dihydroazocine
CID 171493546
(E)-N-[(Z)-1-fluoropent-1-enyl]-3-methylhex-2-en-1-imine
CID 173678455
(2Z,6E)-2-ethyl-7-(trifluoromethyl)-4,5-dihydroazocine
CID 176969220
(6E)-6-ethyl-7-fluoro-2-methyl-1-azacycloocta-2,3,6,8-tetraene
CID 141876436
(2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine
CID 171493309
N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine
CID 176967354
3,4-Dimethylcyclopenta[c]pyrrole
CID 21095372
3,4,5-Trimethylcyclopenta[c]pyrrole
CID 21095854
5-Ethylcyclopenta[b]pyrrole
CID 22667455
7-ethyl-4,5-dihydro-3H-azepine
CID 57035452
4-Methyl-3,6-dihydrocyclopenta[b]pyrrole
CID 57742402

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4,5-dihydroazocine?
The IUPAC name of 2,6-dimethyl-4,5-dihydroazocine (CID 123211440) is 2,6-dimethyl-4,5-dihydroazocine.
What is the SMILES notation for 2,6-dimethyl-4,5-dihydroazocine?
The canonical SMILES for 2,6-dimethyl-4,5-dihydroazocine is CC1=C/C=N\C(C)=CCC1.
What is the InChIKey of 2,6-dimethyl-4,5-dihydroazocine?
The InChIKey is AWHNVEBUWYLCPI-JHNNTLIUSA-N. The full InChI is InChI=1S/C9H13N/c1-8-4-3-5-9(2)10-7-6-8/h5-7H,3-4H2,1-2H3/b8-6?,9-5?,10-7-.
What are the key properties of 2,6-dimethyl-4,5-dihydroazocine?
2,6-dimethyl-4,5-dihydroazocine has a molecular weight of 135.21 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4,5-dihydroazocine is sourced from PubChem (CID 123211440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).