2-ethyl-2,4,7,7-tetramethylazocine

C13H21N — CID 90979377

IUPAC2-ethyl-2,4,7,7-tetramethylazocine
SMILESCCC1(C)C=C(C)C=CC(C)(C)/C=N\1
InChIInChI=1S/C13H21N/c1-6-13(5)9-11(2)7-8-12(3,4)10-14-13/h7-10H,6H2,1-5H3/b8-7?,11-9?,14-10-
InChIKeyDVOGVDABGIHVBE-MQCSIVHLSA-N
MW191.32 g/mol
LogP3.77
Rot. Bonds1

About 2-ethyl-2,4,7,7-tetramethylazocine

2-ethyl-2,4,7,7-tetramethylazocine (PubChem CID 90979377) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-ethyl-2,4,7,7-tetramethylazocine.

Molecular Properties

Compound Name2-ethyl-2,4,7,7-tetramethylazocine
PubChem CID90979377
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-ethyl-2,4,7,7-tetramethylazocine
SMILESCCC1(C)C=C(C)C=CC(C)(C)/C=N\1
InChIInChI=1S/C13H21N/c1-6-13(5)9-11(2)7-8-12(3,4)10-14-13/h7-10H,6H2,1-5H3/b8-7?,11-9?,14-10-
InChIKeyDVOGVDABGIHVBE-MQCSIVHLSA-N
XLogP3.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,4,7,7-tetramethylazocine?
The IUPAC name of 2-ethyl-2,4,7,7-tetramethylazocine (CID 90979377) is 2-ethyl-2,4,7,7-tetramethylazocine.
What is the SMILES notation for 2-ethyl-2,4,7,7-tetramethylazocine?
The canonical SMILES for 2-ethyl-2,4,7,7-tetramethylazocine is CCC1(C)C=C(C)C=CC(C)(C)/C=N\1.
What is the InChIKey of 2-ethyl-2,4,7,7-tetramethylazocine?
The InChIKey is DVOGVDABGIHVBE-MQCSIVHLSA-N. The full InChI is InChI=1S/C13H21N/c1-6-13(5)9-11(2)7-8-12(3,4)10-14-13/h7-10H,6H2,1-5H3/b8-7?,11-9?,14-10-.
What are the key properties of 2-ethyl-2,4,7,7-tetramethylazocine?
2-ethyl-2,4,7,7-tetramethylazocine has a molecular weight of 191.32 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,4,7,7-tetramethylazocine is sourced from PubChem (CID 90979377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).