1,4,6-trimethyl-1,4-diazocane-5,8-dione

C9H16N2O2 — CID 118659197

IUPAC1,4,6-trimethyl-1,4-diazocane-5,8-dione
SMILESCC1CC(=O)N(C)CCN(C)C1=O
InChIInChI=1S/C9H16N2O2/c1-7-6-8(12)10(2)4-5-11(3)9(7)13/h7H,4-6H2,1-3H3
InChIKeyFZDMAQWJDUUZFW-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.06
Rot. Bonds

About 1,4,6-trimethyl-1,4-diazocane-5,8-dione

1,4,6-trimethyl-1,4-diazocane-5,8-dione (PubChem CID 118659197) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1,4,6-trimethyl-1,4-diazocane-5,8-dione.

Molecular Properties

Compound Name1,4,6-trimethyl-1,4-diazocane-5,8-dione
PubChem CID118659197
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1,4,6-trimethyl-1,4-diazocane-5,8-dione
SMILESCC1CC(=O)N(C)CCN(C)C1=O
InChIInChI=1S/C9H16N2O2/c1-7-6-8(12)10(2)4-5-11(3)9(7)13/h7H,4-6H2,1-3H3
InChIKeyFZDMAQWJDUUZFW-UHFFFAOYSA-N
XLogP-0.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-1,4-diazocane-5,8-dione?
The IUPAC name of 1,4,6-trimethyl-1,4-diazocane-5,8-dione (CID 118659197) is 1,4,6-trimethyl-1,4-diazocane-5,8-dione.
What is the SMILES notation for 1,4,6-trimethyl-1,4-diazocane-5,8-dione?
The canonical SMILES for 1,4,6-trimethyl-1,4-diazocane-5,8-dione is CC1CC(=O)N(C)CCN(C)C1=O.
What is the InChIKey of 1,4,6-trimethyl-1,4-diazocane-5,8-dione?
The InChIKey is FZDMAQWJDUUZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7-6-8(12)10(2)4-5-11(3)9(7)13/h7H,4-6H2,1-3H3.
What are the key properties of 1,4,6-trimethyl-1,4-diazocane-5,8-dione?
1,4,6-trimethyl-1,4-diazocane-5,8-dione has a molecular weight of 184.24 g/mol, XLogP of -0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-1,4-diazocane-5,8-dione is sourced from PubChem (CID 118659197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).