13-methyl-15-methylidene-1-azabicyclo[11.4.0]heptadecane

C18H33N — CID 154721647

IUPAC13-methyl-15-methylidene-1-azabicyclo[11.4.0]heptadecane
SMILESC=C1CCN2CCCCCCCCCCCC2(C)C1
InChIInChI=1S/C18H33N/c1-17-12-15-19-14-11-9-7-5-3-4-6-8-10-13-18(19,2)16-17/h1,3-16H2,2H3
InChIKeyDOXHDOHZQUSQRL-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.31
Rot. Bonds

About 13-methyl-15-methylidene-1-azabicyclo[11.4.0]heptadecane

13-methyl-15-methylidene-1-azabicyclo[11.4.0]heptadecane (PubChem CID 154721647) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 13-methyl-15-methylidene-1-azabicyclo[11.4.0]heptadecane.

Molecular Properties

Compound Name13-methyl-15-methylidene-1-azabicyclo[11.4.0]heptadecane
PubChem CID154721647
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name13-methyl-15-methylidene-1-azabicyclo[11.4.0]heptadecane
SMILESC=C1CCN2CCCCCCCCCCCC2(C)C1
InChIInChI=1S/C18H33N/c1-17-12-15-19-14-11-9-7-5-3-4-6-8-10-13-18(19,2)16-17/h1,3-16H2,2H3
InChIKeyDOXHDOHZQUSQRL-UHFFFAOYSA-N
XLogP5.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 13-methyl-15-methylidene-1-azabicyclo[11.4.0]heptadecane?
The IUPAC name of 13-methyl-15-methylidene-1-azabicyclo[11.4.0]heptadecane (CID 154721647) is 13-methyl-15-methylidene-1-azabicyclo[11.4.0]heptadecane.
What is the SMILES notation for 13-methyl-15-methylidene-1-azabicyclo[11.4.0]heptadecane?
The canonical SMILES for 13-methyl-15-methylidene-1-azabicyclo[11.4.0]heptadecane is C=C1CCN2CCCCCCCCCCCC2(C)C1.
What is the InChIKey of 13-methyl-15-methylidene-1-azabicyclo[11.4.0]heptadecane?
The InChIKey is DOXHDOHZQUSQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-17-12-15-19-14-11-9-7-5-3-4-6-8-10-13-18(19,2)16-17/h1,3-16H2,2H3.
What are the key properties of 13-methyl-15-methylidene-1-azabicyclo[11.4.0]heptadecane?
13-methyl-15-methylidene-1-azabicyclo[11.4.0]heptadecane has a molecular weight of 263.47 g/mol, XLogP of 5.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-15-methylidene-1-azabicyclo[11.4.0]heptadecane is sourced from PubChem (CID 154721647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).