6-methyl-1,4,5,6-tetrahydro-1,3-diazocine

C7H12N2 — CID 89136628

IUPAC6-methyl-1,4,5,6-tetrahydro-1,3-diazocine
SMILESCC1C=CN/C=N\CC1
InChIInChI=1S/C7H12N2/c1-7-2-4-8-6-9-5-3-7/h2,4,6-7H,3,5H2,1H3,(H,8,9)
InChIKeyBVWKFMXNLRTAKV-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.16
Rot. Bonds

About 6-methyl-1,4,5,6-tetrahydro-1,3-diazocine

6-methyl-1,4,5,6-tetrahydro-1,3-diazocine (PubChem CID 89136628) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 6-methyl-1,4,5,6-tetrahydro-1,3-diazocine.

Molecular Properties

Compound Name6-methyl-1,4,5,6-tetrahydro-1,3-diazocine
PubChem CID89136628
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name6-methyl-1,4,5,6-tetrahydro-1,3-diazocine
SMILESCC1C=CN/C=N\CC1
InChIInChI=1S/C7H12N2/c1-7-2-4-8-6-9-5-3-7/h2,4,6-7H,3,5H2,1H3,(H,8,9)
InChIKeyBVWKFMXNLRTAKV-UHFFFAOYSA-N
XLogP1.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4,5,6-tetrahydro-1,3-diazocine?
The IUPAC name of 6-methyl-1,4,5,6-tetrahydro-1,3-diazocine (CID 89136628) is 6-methyl-1,4,5,6-tetrahydro-1,3-diazocine.
What is the SMILES notation for 6-methyl-1,4,5,6-tetrahydro-1,3-diazocine?
The canonical SMILES for 6-methyl-1,4,5,6-tetrahydro-1,3-diazocine is CC1C=CN/C=N\CC1.
What is the InChIKey of 6-methyl-1,4,5,6-tetrahydro-1,3-diazocine?
The InChIKey is BVWKFMXNLRTAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-7-2-4-8-6-9-5-3-7/h2,4,6-7H,3,5H2,1H3,(H,8,9).
What are the key properties of 6-methyl-1,4,5,6-tetrahydro-1,3-diazocine?
6-methyl-1,4,5,6-tetrahydro-1,3-diazocine has a molecular weight of 124.19 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4,5,6-tetrahydro-1,3-diazocine is sourced from PubChem (CID 89136628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).