3,3,6,6-tetramethylazocine

C11H17N — CID 123931967

IUPAC3,3,6,6-tetramethylazocine
SMILESCC1(C)C=C/N=C\C(C)(C)C=C1
InChIInChI=1S/C11H17N/c1-10(2)5-6-11(3,4)9-12-8-7-10/h5-9H,1-4H3/b6-5?,8-7?,12-9-
InChIKeyWRCOUAFWSGXGEL-KTCRKGDSSA-N
MW163.26 g/mol
LogP3.19
Rot. Bonds

About 3,3,6,6-tetramethylazocine

3,3,6,6-tetramethylazocine (PubChem CID 123931967) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3,3,6,6-tetramethylazocine.

Molecular Properties

Compound Name3,3,6,6-tetramethylazocine
PubChem CID123931967
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3,3,6,6-tetramethylazocine
SMILESCC1(C)C=C/N=C\C(C)(C)C=C1
InChIInChI=1S/C11H17N/c1-10(2)5-6-11(3,4)9-12-8-7-10/h5-9H,1-4H3/b6-5?,8-7?,12-9-
InChIKeyWRCOUAFWSGXGEL-KTCRKGDSSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 59179900
N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine
CID 59734363
N-[(Z)-3,3-dimethylbut-1-enyl]-2-methylpropan-1-imine
CID 59848843
2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
CID 59848846
3,3-Dimethylazepine
CID 69925035
(4Z,7Z)-3,6,6-trimethyl-3H-azocine
CID 89308172
(Z)-2,2-dimethyl-N-[(E)-prop-1-enyl]hex-3-en-1-imine
CID 89312021
N-[(Z)-3,3-dimethyl-1,2-ditritiobut-1-enyl]-2,2-dimethyl-1-tritiopropan-1-imine
CID 118606013
N-[(Z)-4,4-dimethyl-3-tritiopent-2-en-2-yl]-2,2-dimethyl-1-tritiopropan-1-imine
CID 122663401
N-[(E)-but-1-enyl]-2-methylpent-2-en-1-imine
CID 123210786
4,7,7-Trimethylazocine-4-thiol
CID 123913493

Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethylazocine?
The IUPAC name of 3,3,6,6-tetramethylazocine (CID 123931967) is 3,3,6,6-tetramethylazocine.
What is the SMILES notation for 3,3,6,6-tetramethylazocine?
The canonical SMILES for 3,3,6,6-tetramethylazocine is CC1(C)C=C/N=C\C(C)(C)C=C1.
What is the InChIKey of 3,3,6,6-tetramethylazocine?
The InChIKey is WRCOUAFWSGXGEL-KTCRKGDSSA-N. The full InChI is InChI=1S/C11H17N/c1-10(2)5-6-11(3,4)9-12-8-7-10/h5-9H,1-4H3/b6-5?,8-7?,12-9-.
What are the key properties of 3,3,6,6-tetramethylazocine?
3,3,6,6-tetramethylazocine has a molecular weight of 163.26 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethylazocine is sourced from PubChem (CID 123931967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).