11a-methyl-2-methylidene-3,4,6,7,8,9,10,11-octahydro-1H-pyrido[1,2-a]azocine

C13H23N — CID 154716132

IUPAC11a-methyl-2-methylidene-3,4,6,7,8,9,10,11-octahydro-1H-pyrido[1,2-a]azocine
SMILESC=C1CCN2CCCCCCC2(C)C1
InChIInChI=1S/C13H23N/c1-12-7-10-14-9-6-4-3-5-8-13(14,2)11-12/h1,3-11H2,2H3
InChIKeyKPOOESDMLANDLJ-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.36
Rot. Bonds

About 11a-methyl-2-methylidene-3,4,6,7,8,9,10,11-octahydro-1H-pyrido[1,2-a]azocine

11a-methyl-2-methylidene-3,4,6,7,8,9,10,11-octahydro-1H-pyrido[1,2-a]azocine (PubChem CID 154716132) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 11a-methyl-2-methylidene-3,4,6,7,8,9,10,11-octahydro-1H-pyrido[1,2-a]azocine.

Molecular Properties

Compound Name11a-methyl-2-methylidene-3,4,6,7,8,9,10,11-octahydro-1H-pyrido[1,2-a]azocine
PubChem CID154716132
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name11a-methyl-2-methylidene-3,4,6,7,8,9,10,11-octahydro-1H-pyrido[1,2-a]azocine
SMILESC=C1CCN2CCCCCCC2(C)C1
InChIInChI=1S/C13H23N/c1-12-7-10-14-9-6-4-3-5-8-13(14,2)11-12/h1,3-11H2,2H3
InChIKeyKPOOESDMLANDLJ-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 11a-methyl-2-methylidene-3,4,6,7,8,9,10,11-octahydro-1H-pyrido[1,2-a]azocine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 11a-methyl-2-methylidene-3,4,6,7,8,9,10,11-octahydro-1H-pyrido[1,2-a]azocine?
The IUPAC name of 11a-methyl-2-methylidene-3,4,6,7,8,9,10,11-octahydro-1H-pyrido[1,2-a]azocine (CID 154716132) is 11a-methyl-2-methylidene-3,4,6,7,8,9,10,11-octahydro-1H-pyrido[1,2-a]azocine.
What is the SMILES notation for 11a-methyl-2-methylidene-3,4,6,7,8,9,10,11-octahydro-1H-pyrido[1,2-a]azocine?
The canonical SMILES for 11a-methyl-2-methylidene-3,4,6,7,8,9,10,11-octahydro-1H-pyrido[1,2-a]azocine is C=C1CCN2CCCCCCC2(C)C1.
What is the InChIKey of 11a-methyl-2-methylidene-3,4,6,7,8,9,10,11-octahydro-1H-pyrido[1,2-a]azocine?
The InChIKey is KPOOESDMLANDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-12-7-10-14-9-6-4-3-5-8-13(14,2)11-12/h1,3-11H2,2H3.
What are the key properties of 11a-methyl-2-methylidene-3,4,6,7,8,9,10,11-octahydro-1H-pyrido[1,2-a]azocine?
11a-methyl-2-methylidene-3,4,6,7,8,9,10,11-octahydro-1H-pyrido[1,2-a]azocine has a molecular weight of 193.33 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11a-methyl-2-methylidene-3,4,6,7,8,9,10,11-octahydro-1H-pyrido[1,2-a]azocine is sourced from PubChem (CID 154716132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).