12-ethyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene

C15H20N2O — CID 177208371

IUPAC12-ethyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
SMILESCCN1CCC2C(C1)c1cccc3c1N2CCO3
InChIInChI=1S/C15H20N2O/c1-2-16-7-6-13-12(10-16)11-4-3-5-14-15(11)17(13)8-9-18-14/h3-5,12-13H,2,6-10H2,1H3
InChIKeyHSNITBFCVWXUHR-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.08
Rot. Bonds1

About 12-ethyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene

12-ethyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene (PubChem CID 177208371) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 12-ethyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene.

Molecular Properties

Compound Name12-ethyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
PubChem CID177208371
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name12-ethyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
SMILESCCN1CCC2C(C1)c1cccc3c1N2CCO3
InChIInChI=1S/C15H20N2O/c1-2-16-7-6-13-12(10-16)11-4-3-5-14-15(11)17(13)8-9-18-14/h3-5,12-13H,2,6-10H2,1H3
InChIKeyHSNITBFCVWXUHR-UHFFFAOYSA-N
XLogP2.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-ethyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene?
The IUPAC name of 12-ethyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene (CID 177208371) is 12-ethyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene.
What is the SMILES notation for 12-ethyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene?
The canonical SMILES for 12-ethyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene is CCN1CCC2C(C1)c1cccc3c1N2CCO3.
What is the InChIKey of 12-ethyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene?
The InChIKey is HSNITBFCVWXUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-16-7-6-13-12(10-16)11-4-3-5-14-15(11)17(13)8-9-18-14/h3-5,12-13H,2,6-10H2,1H3.
What are the key properties of 12-ethyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene?
12-ethyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene has a molecular weight of 244.34 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-4-oxa-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene is sourced from PubChem (CID 177208371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).