2-methyl-4,5-dihydroazocine

C8H11N — CID 123188372

IUPAC2-methyl-4,5-dihydroazocine
SMILESCC1=CCCC=C/C=N\1
InChIInChI=1S/C8H11N/c1-8-6-4-2-3-5-7-9-8/h3,5-7H,2,4H2,1H3/b5-3?,8-6?,9-7-
InChIKeyLSAGGNQRBCMFKS-GMXRAPBOSA-N
MW121.18 g/mol
LogP2.31
Rot. Bonds

About 2-methyl-4,5-dihydroazocine

2-methyl-4,5-dihydroazocine (PubChem CID 123188372) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2-methyl-4,5-dihydroazocine.

Molecular Properties

Compound Name2-methyl-4,5-dihydroazocine
PubChem CID123188372
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2-methyl-4,5-dihydroazocine
SMILESCC1=CCCC=C/C=N\1
InChIInChI=1S/C8H11N/c1-8-6-4-2-3-5-7-9-8/h3,5-7H,2,4H2,1H3/b5-3?,8-6?,9-7-
InChIKeyLSAGGNQRBCMFKS-GMXRAPBOSA-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

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(Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine
CID 170098977
(Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine
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(E)-2-fluoro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
CID 168972321
6-Methyl-3,4-dihydropyridine
CID 14979256
6-Ethyl-3,4-dihydropyridine
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(2Z,6Z)-4,5-dihydroazocine
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CID 20761973
2-methylidene-3H-pyridine
CID 45079590
7-ethyl-4,5-dihydro-3H-azepine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydroazocine?
The IUPAC name of 2-methyl-4,5-dihydroazocine (CID 123188372) is 2-methyl-4,5-dihydroazocine.
What is the SMILES notation for 2-methyl-4,5-dihydroazocine?
The canonical SMILES for 2-methyl-4,5-dihydroazocine is CC1=CCCC=C/C=N\1.
What is the InChIKey of 2-methyl-4,5-dihydroazocine?
The InChIKey is LSAGGNQRBCMFKS-GMXRAPBOSA-N. The full InChI is InChI=1S/C8H11N/c1-8-6-4-2-3-5-7-9-8/h3,5-7H,2,4H2,1H3/b5-3?,8-6?,9-7-.
What are the key properties of 2-methyl-4,5-dihydroazocine?
2-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 2-methyl-4,5-dihydroazocine is sourced from PubChem (CID 123188372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).