(7Z)-7-ethyl-4,4-dimethyl-3H-azocine

C11H17N — CID 123673623

IUPAC(7Z)-7-ethyl-4,4-dimethyl-3H-azocine
SMILESCC/C1=C/N=C\CC(C)(C)C=C1
InChIInChI=1S/C11H17N/c1-4-10-5-6-11(2,3)7-8-12-9-10/h5-6,8-9H,4,7H2,1-3H3/b6-5?,10-9-,12-8-
InChIKeyUMOWHYNWWAAJNT-ALWDXHMGSA-N
MW163.26 g/mol
LogP3.34
Rot. Bonds1

About (7Z)-7-ethyl-4,4-dimethyl-3H-azocine

(7Z)-7-ethyl-4,4-dimethyl-3H-azocine (PubChem CID 123673623) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (7Z)-7-ethyl-4,4-dimethyl-3H-azocine.

Molecular Properties

Compound Name(7Z)-7-ethyl-4,4-dimethyl-3H-azocine
PubChem CID123673623
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(7Z)-7-ethyl-4,4-dimethyl-3H-azocine
SMILESCC/C1=C/N=C\CC(C)(C)C=C1
InChIInChI=1S/C11H17N/c1-4-10-5-6-11(2,3)7-8-12-9-10/h5-6,8-9H,4,7H2,1-3H3/b6-5?,10-9-,12-8-
InChIKeyUMOWHYNWWAAJNT-ALWDXHMGSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-Tert-butyl-3,3-dimethylazepine
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Frequently Asked Questions

What is the IUPAC name of (7Z)-7-ethyl-4,4-dimethyl-3H-azocine?
The IUPAC name of (7Z)-7-ethyl-4,4-dimethyl-3H-azocine (CID 123673623) is (7Z)-7-ethyl-4,4-dimethyl-3H-azocine.
What is the SMILES notation for (7Z)-7-ethyl-4,4-dimethyl-3H-azocine?
The canonical SMILES for (7Z)-7-ethyl-4,4-dimethyl-3H-azocine is CC/C1=C/N=C\CC(C)(C)C=C1.
What is the InChIKey of (7Z)-7-ethyl-4,4-dimethyl-3H-azocine?
The InChIKey is UMOWHYNWWAAJNT-ALWDXHMGSA-N. The full InChI is InChI=1S/C11H17N/c1-4-10-5-6-11(2,3)7-8-12-9-10/h5-6,8-9H,4,7H2,1-3H3/b6-5?,10-9-,12-8-.
What are the key properties of (7Z)-7-ethyl-4,4-dimethyl-3H-azocine?
(7Z)-7-ethyl-4,4-dimethyl-3H-azocine has a molecular weight of 163.26 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-ethyl-4,4-dimethyl-3H-azocine is sourced from PubChem (CID 123673623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).