15,16-dimethyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene

C17H29N — CID 70828298

IUPAC15,16-dimethyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene
SMILESCC1=NC2=C(CCCCCCCCCCC2)C1C
InChIInChI=1S/C17H29N/c1-14-15(2)18-17-13-11-9-7-5-3-4-6-8-10-12-16(14)17/h14H,3-13H2,1-2H3
InChIKeyHLXDWJDDRDKCCJ-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.66
Rot. Bonds

About 15,16-dimethyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene

15,16-dimethyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene (PubChem CID 70828298) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 15,16-dimethyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene.

Molecular Properties

Compound Name15,16-dimethyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene
PubChem CID70828298
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name15,16-dimethyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene
SMILESCC1=NC2=C(CCCCCCCCCCC2)C1C
InChIInChI=1S/C17H29N/c1-14-15(2)18-17-13-11-9-7-5-3-4-6-8-10-12-16(14)17/h14H,3-13H2,1-2H3
InChIKeyHLXDWJDDRDKCCJ-UHFFFAOYSA-N
XLogP5.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 15,16-dimethyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene?
The IUPAC name of 15,16-dimethyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene (CID 70828298) is 15,16-dimethyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene.
What is the SMILES notation for 15,16-dimethyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene?
The canonical SMILES for 15,16-dimethyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene is CC1=NC2=C(CCCCCCCCCCC2)C1C.
What is the InChIKey of 15,16-dimethyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene?
The InChIKey is HLXDWJDDRDKCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-14-15(2)18-17-13-11-9-7-5-3-4-6-8-10-12-16(14)17/h14H,3-13H2,1-2H3.
What are the key properties of 15,16-dimethyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene?
15,16-dimethyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene has a molecular weight of 247.43 g/mol, XLogP of 5.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-dimethyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene is sourced from PubChem (CID 70828298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).