2,2,7,7-tetramethyl-1,5-diazocine

C10H16N2 — CID 123428503

IUPAC2,2,7,7-tetramethyl-1,5-diazocine
SMILESCC1(C)/C=N\C=CC(C)(C)/N=C\1
InChIInChI=1S/C10H16N2/c1-9(2)7-11-6-5-10(3,4)12-8-9/h5-8H,1-4H3/b6-5?,11-7-,12-8-
InChIKeyWYQZDQCVEJKVGY-JZADHFCUSA-N
MW164.25 g/mol
LogP2.46
Rot. Bonds

About 2,2,7,7-tetramethyl-1,5-diazocine

2,2,7,7-tetramethyl-1,5-diazocine (PubChem CID 123428503) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,2,7,7-tetramethyl-1,5-diazocine.

Molecular Properties

Compound Name2,2,7,7-tetramethyl-1,5-diazocine
PubChem CID123428503
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2,2,7,7-tetramethyl-1,5-diazocine
SMILESCC1(C)/C=N\C=CC(C)(C)/N=C\1
InChIInChI=1S/C10H16N2/c1-9(2)7-11-6-5-10(3,4)12-8-9/h5-8H,1-4H3/b6-5?,11-7-,12-8-
InChIKeyWYQZDQCVEJKVGY-JZADHFCUSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174816173
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CID 174567335
4,4-dimethylimidazole;hydrochloride
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lithium;2,2-dimethylpyrrole;hydride
CID 174540828
ethane;2,6,6-trimethyl-1,4-diazepine
CID 142544824
(2Z,5Z)-7-amino-4,7-dimethylazocine-4-carboxylic acid
CID 142077884
ethane;3-methyl-3-propan-2-ylazepine
CID 142247076
(5Z)-2,4,4,7,7-pentamethyl-2,3-dihydroazocine
CID 156510060
(3S)-3-iodo-3-methyl-4H-pyridine
CID 70219236
3,3,5,6-tetramethylazepine
CID 163775369
3-aminopyrrole-3-carboxylic acid
CID 154019971

Frequently Asked Questions

What is the IUPAC name of 2,2,7,7-tetramethyl-1,5-diazocine?
The IUPAC name of 2,2,7,7-tetramethyl-1,5-diazocine (CID 123428503) is 2,2,7,7-tetramethyl-1,5-diazocine.
What is the SMILES notation for 2,2,7,7-tetramethyl-1,5-diazocine?
The canonical SMILES for 2,2,7,7-tetramethyl-1,5-diazocine is CC1(C)/C=N\C=CC(C)(C)/N=C\1.
What is the InChIKey of 2,2,7,7-tetramethyl-1,5-diazocine?
The InChIKey is WYQZDQCVEJKVGY-JZADHFCUSA-N. The full InChI is InChI=1S/C10H16N2/c1-9(2)7-11-6-5-10(3,4)12-8-9/h5-8H,1-4H3/b6-5?,11-7-,12-8-.
What are the key properties of 2,2,7,7-tetramethyl-1,5-diazocine?
2,2,7,7-tetramethyl-1,5-diazocine has a molecular weight of 164.25 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7-tetramethyl-1,5-diazocine is sourced from PubChem (CID 123428503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).