5-methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane

C14H28N3+ — CID 5242849

IUPAC5-methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane
SMILESC=C1CN2CCCN(C)CCC[NH+](CCC2)C1
InChIInChI=1S/C14H27N3/c1-14-12-16-8-3-6-15(2)7-4-9-17(13-14)11-5-10-16/h1,3-13H2,2H3/p+1
InChIKeyUTUDKCGAGNJJOL-UHFFFAOYSA-O
MW238.40 g/mol
LogP-0.14
Rot. Bonds

About 5-methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane

5-methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane (PubChem CID 5242849) has the molecular formula C14H28N3+ and a molecular weight of 238.40 g/mol. Its IUPAC name is 5-methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane.

Molecular Properties

Compound Name5-methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane
PubChem CID5242849
Molecular FormulaC14H28N3+
Molecular Weight238.40 g/mol
Exact Mass238.23
IUPAC Name5-methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane
SMILESC=C1CN2CCCN(C)CCC[NH+](CCC2)C1
InChIInChI=1S/C14H27N3/c1-14-12-16-8-3-6-15(2)7-4-9-17(13-14)11-5-10-16/h1,3-13H2,2H3/p+1
InChIKeyUTUDKCGAGNJJOL-UHFFFAOYSA-O
XLogP-0.14
TPSA10.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane?
The IUPAC name of 5-methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane (CID 5242849) is 5-methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane.
What is the SMILES notation for 5-methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane?
The canonical SMILES for 5-methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane is C=C1CN2CCCN(C)CCC[NH+](CCC2)C1.
What is the InChIKey of 5-methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane?
The InChIKey is UTUDKCGAGNJJOL-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H27N3/c1-14-12-16-8-3-6-15(2)7-4-9-17(13-14)11-5-10-16/h1,3-13H2,2H3/p+1.
What are the key properties of 5-methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane?
5-methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane has a molecular weight of 238.40 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane is sourced from PubChem (CID 5242849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).