2,2,5,5-tetramethyl-1,4-diazocine

C10H16N2 — CID 123609764

IUPAC2,2,5,5-tetramethyl-1,4-diazocine
SMILESCC1(C)C=C/C=N\C(C)(C)/C=N\1
InChIInChI=1S/C10H16N2/c1-9(2)6-5-7-11-10(3,4)8-12-9/h5-8H,1-4H3/b6-5?,11-7-,12-8-
InChIKeyHEQQLBADZAXISU-JZADHFCUSA-N
MW164.25 g/mol
LogP2.26
Rot. Bonds

About 2,2,5,5-tetramethyl-1,4-diazocine

2,2,5,5-tetramethyl-1,4-diazocine (PubChem CID 123609764) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-1,4-diazocine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-1,4-diazocine
PubChem CID123609764
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2,2,5,5-tetramethyl-1,4-diazocine
SMILESCC1(C)C=C/C=N\C(C)(C)/C=N\1
InChIInChI=1S/C10H16N2/c1-9(2)6-5-7-11-10(3,4)8-12-9/h5-8H,1-4H3/b6-5?,11-7-,12-8-
InChIKeyHEQQLBADZAXISU-JZADHFCUSA-N
XLogP2.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-1,4-diazocine?
The IUPAC name of 2,2,5,5-tetramethyl-1,4-diazocine (CID 123609764) is 2,2,5,5-tetramethyl-1,4-diazocine.
What is the SMILES notation for 2,2,5,5-tetramethyl-1,4-diazocine?
The canonical SMILES for 2,2,5,5-tetramethyl-1,4-diazocine is CC1(C)C=C/C=N\C(C)(C)/C=N\1.
What is the InChIKey of 2,2,5,5-tetramethyl-1,4-diazocine?
The InChIKey is HEQQLBADZAXISU-JZADHFCUSA-N. The full InChI is InChI=1S/C10H16N2/c1-9(2)6-5-7-11-10(3,4)8-12-9/h5-8H,1-4H3/b6-5?,11-7-,12-8-.
What are the key properties of 2,2,5,5-tetramethyl-1,4-diazocine?
2,2,5,5-tetramethyl-1,4-diazocine has a molecular weight of 164.25 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-1,4-diazocine is sourced from PubChem (CID 123609764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).