15,18-dimethyl-16-azabicyclo[12.4.0]octadeca-15,17-diene

C19H33N — CID 126615375

IUPAC15,18-dimethyl-16-azabicyclo[12.4.0]octadeca-15,17-diene
SMILESCC1=CN=C(C)C2CCCCCCCCCCCCC12
InChIInChI=1S/C19H33N/c1-16-15-20-17(2)19-14-12-10-8-6-4-3-5-7-9-11-13-18(16)19/h15,18-19H,3-14H2,1-2H3
InChIKeyRWGFVRUPMWHPMN-UHFFFAOYSA-N
MW275.48 g/mol
LogP6.29
Rot. Bonds

About 15,18-dimethyl-16-azabicyclo[12.4.0]octadeca-15,17-diene

15,18-dimethyl-16-azabicyclo[12.4.0]octadeca-15,17-diene (PubChem CID 126615375) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 15,18-dimethyl-16-azabicyclo[12.4.0]octadeca-15,17-diene.

Molecular Properties

Compound Name15,18-dimethyl-16-azabicyclo[12.4.0]octadeca-15,17-diene
PubChem CID126615375
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name15,18-dimethyl-16-azabicyclo[12.4.0]octadeca-15,17-diene
SMILESCC1=CN=C(C)C2CCCCCCCCCCCCC12
InChIInChI=1S/C19H33N/c1-16-15-20-17(2)19-14-12-10-8-6-4-3-5-7-9-11-13-18(16)19/h15,18-19H,3-14H2,1-2H3
InChIKeyRWGFVRUPMWHPMN-UHFFFAOYSA-N
XLogP6.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 15,18-dimethyl-16-azabicyclo[12.4.0]octadeca-15,17-diene?
The IUPAC name of 15,18-dimethyl-16-azabicyclo[12.4.0]octadeca-15,17-diene (CID 126615375) is 15,18-dimethyl-16-azabicyclo[12.4.0]octadeca-15,17-diene.
What is the SMILES notation for 15,18-dimethyl-16-azabicyclo[12.4.0]octadeca-15,17-diene?
The canonical SMILES for 15,18-dimethyl-16-azabicyclo[12.4.0]octadeca-15,17-diene is CC1=CN=C(C)C2CCCCCCCCCCCCC12.
What is the InChIKey of 15,18-dimethyl-16-azabicyclo[12.4.0]octadeca-15,17-diene?
The InChIKey is RWGFVRUPMWHPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-16-15-20-17(2)19-14-12-10-8-6-4-3-5-7-9-11-13-18(16)19/h15,18-19H,3-14H2,1-2H3.
What are the key properties of 15,18-dimethyl-16-azabicyclo[12.4.0]octadeca-15,17-diene?
15,18-dimethyl-16-azabicyclo[12.4.0]octadeca-15,17-diene has a molecular weight of 275.48 g/mol, XLogP of 6.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15,18-dimethyl-16-azabicyclo[12.4.0]octadeca-15,17-diene is sourced from PubChem (CID 126615375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).