13-tert-butyl-5-methyl-10-oxa-2,4-diazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene

C17H22N2O — CID 58110677

IUPAC13-tert-butyl-5-methyl-10-oxa-2,4-diazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene
SMILESCc1ncn2c1CCCOc1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C17H22N2O/c1-12-14-6-5-9-20-16-10-13(17(2,3)4)7-8-15(16)19(14)11-18-12/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyZGRMEOGRRJAJAR-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.80
Rot. Bonds

About 13-tert-butyl-5-methyl-10-oxa-2,4-diazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene

13-tert-butyl-5-methyl-10-oxa-2,4-diazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene (PubChem CID 58110677) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 13-tert-butyl-5-methyl-10-oxa-2,4-diazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene.

Molecular Properties

Compound Name13-tert-butyl-5-methyl-10-oxa-2,4-diazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene
PubChem CID58110677
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name13-tert-butyl-5-methyl-10-oxa-2,4-diazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene
SMILESCc1ncn2c1CCCOc1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C17H22N2O/c1-12-14-6-5-9-20-16-10-13(17(2,3)4)7-8-15(16)19(14)11-18-12/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyZGRMEOGRRJAJAR-UHFFFAOYSA-N
XLogP3.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-tert-butyl-5-methyl-10-oxa-2,4-diazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene?
The IUPAC name of 13-tert-butyl-5-methyl-10-oxa-2,4-diazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene (CID 58110677) is 13-tert-butyl-5-methyl-10-oxa-2,4-diazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene.
What is the SMILES notation for 13-tert-butyl-5-methyl-10-oxa-2,4-diazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene?
The canonical SMILES for 13-tert-butyl-5-methyl-10-oxa-2,4-diazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene is Cc1ncn2c1CCCOc1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 13-tert-butyl-5-methyl-10-oxa-2,4-diazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene?
The InChIKey is ZGRMEOGRRJAJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-14-6-5-9-20-16-10-13(17(2,3)4)7-8-15(16)19(14)11-18-12/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of 13-tert-butyl-5-methyl-10-oxa-2,4-diazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene?
13-tert-butyl-5-methyl-10-oxa-2,4-diazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene has a molecular weight of 270.38 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-tert-butyl-5-methyl-10-oxa-2,4-diazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene is sourced from PubChem (CID 58110677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).