3,7-dimethyl-4,5-dihydroazocine

C9H13N — CID 123744165

IUPAC3,7-dimethyl-4,5-dihydroazocine
SMILESCC1=CCCC(C)=C/N=C\1
InChIInChI=1S/C9H13N/c1-8-4-3-5-9(2)7-10-6-8/h4,6-7H,3,5H2,1-2H3/b8-4?,9-7?,10-6-
InChIKeyMXWAICNHXYQMDA-WFXRXHCNSA-N
MW135.21 g/mol
LogP2.70
Rot. Bonds

About 3,7-dimethyl-4,5-dihydroazocine

3,7-dimethyl-4,5-dihydroazocine (PubChem CID 123744165) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 3,7-dimethyl-4,5-dihydroazocine.

Molecular Properties

Compound Name3,7-dimethyl-4,5-dihydroazocine
PubChem CID123744165
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3,7-dimethyl-4,5-dihydroazocine
SMILESCC1=CCCC(C)=C/N=C\1
InChIInChI=1S/C9H13N/c1-8-4-3-5-9(2)7-10-6-8/h4,6-7H,3,5H2,1-2H3/b8-4?,9-7?,10-6-
InChIKeyMXWAICNHXYQMDA-WFXRXHCNSA-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

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
N-(2-ethyl-2-hexenylidene)propylamine
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(E)-N,2-dimethylpent-2-en-1-imine
CID 12475952
5-Methylcyclopenta[c]pyrrole
CID 17937711
3-Pentylazocine
CID 57204352
6-Pentylcyclopenta[c]pyrrole
CID 67725834
5-Propyl-2,3-dihydropyridine
CID 67965940
5-But-3-enyl-4-methyl-2,3-dihydropyridine
CID 70267509
(1E)-2-Ethyl-N-(2-methylpropyl)hex-2-en-1-imine
CID 71343072
N,3-dimethylhex-2-en-1-imine
CID 73829296
N,2-dimethylpent-2-en-1-imine
CID 85970945
2-ethyl-N-methylhex-2-en-1-imine
CID 86125258

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-4,5-dihydroazocine?
The IUPAC name of 3,7-dimethyl-4,5-dihydroazocine (CID 123744165) is 3,7-dimethyl-4,5-dihydroazocine.
What is the SMILES notation for 3,7-dimethyl-4,5-dihydroazocine?
The canonical SMILES for 3,7-dimethyl-4,5-dihydroazocine is CC1=CCCC(C)=C/N=C\1.
What is the InChIKey of 3,7-dimethyl-4,5-dihydroazocine?
The InChIKey is MXWAICNHXYQMDA-WFXRXHCNSA-N. The full InChI is InChI=1S/C9H13N/c1-8-4-3-5-9(2)7-10-6-8/h4,6-7H,3,5H2,1-2H3/b8-4?,9-7?,10-6-.
What are the key properties of 3,7-dimethyl-4,5-dihydroazocine?
3,7-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 3,7-dimethyl-4,5-dihydroazocine is sourced from PubChem (CID 123744165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).