(2Z)-5,6-dimethyl-6,7-dihydro-1,4-diazocine

C8H12N2 — CID 121329199

IUPAC(2Z)-5,6-dimethyl-6,7-dihydro-1,4-diazocine
SMILESC/C1=N/C=C\N=C/CC1C
InChIInChI=1S/C8H12N2/c1-7-3-4-9-5-6-10-8(7)2/h4-7H,3H2,1-2H3/b6-5-,9-4-,10-8-
InChIKeyWZNMWYDAFNLQOG-HRYSVZNGSA-N
MW136.20 g/mol
LogP2.03
Rot. Bonds

About (2Z)-5,6-dimethyl-6,7-dihydro-1,4-diazocine

(2Z)-5,6-dimethyl-6,7-dihydro-1,4-diazocine (PubChem CID 121329199) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (2Z)-5,6-dimethyl-6,7-dihydro-1,4-diazocine.

Molecular Properties

Compound Name(2Z)-5,6-dimethyl-6,7-dihydro-1,4-diazocine
PubChem CID121329199
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(2Z)-5,6-dimethyl-6,7-dihydro-1,4-diazocine
SMILESC/C1=N/C=C\N=C/CC1C
InChIInChI=1S/C8H12N2/c1-7-3-4-9-5-6-10-8(7)2/h4-7H,3H2,1-2H3/b6-5-,9-4-,10-8-
InChIKeyWZNMWYDAFNLQOG-HRYSVZNGSA-N
XLogP2.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5,6-dimethyl-6,7-dihydro-1,4-diazocine?
The IUPAC name of (2Z)-5,6-dimethyl-6,7-dihydro-1,4-diazocine (CID 121329199) is (2Z)-5,6-dimethyl-6,7-dihydro-1,4-diazocine.
What is the SMILES notation for (2Z)-5,6-dimethyl-6,7-dihydro-1,4-diazocine?
The canonical SMILES for (2Z)-5,6-dimethyl-6,7-dihydro-1,4-diazocine is C/C1=N/C=C\N=C/CC1C.
What is the InChIKey of (2Z)-5,6-dimethyl-6,7-dihydro-1,4-diazocine?
The InChIKey is WZNMWYDAFNLQOG-HRYSVZNGSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-3-4-9-5-6-10-8(7)2/h4-7H,3H2,1-2H3/b6-5-,9-4-,10-8-.
What are the key properties of (2Z)-5,6-dimethyl-6,7-dihydro-1,4-diazocine?
(2Z)-5,6-dimethyl-6,7-dihydro-1,4-diazocine has a molecular weight of 136.20 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5,6-dimethyl-6,7-dihydro-1,4-diazocine is sourced from PubChem (CID 121329199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).