10,10-dimethyl-4-propyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene

C19H21NO2 — CID 10494099

IUPAC10,10-dimethyl-4-propyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene
SMILESCCCc1nc2c(o1)c1c(c3ccccc32)OC(C)(C)CC1
InChIInChI=1S/C19H21NO2/c1-4-7-15-20-16-12-8-5-6-9-13(12)17-14(18(16)21-15)10-11-19(2,3)22-17/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKeyPNJRBKPLSVUHIG-UHFFFAOYSA-N
MW295.38 g/mol
LogP5.04
Rot. Bonds2

About 10,10-dimethyl-4-propyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene

10,10-dimethyl-4-propyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene (PubChem CID 10494099) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 10,10-dimethyl-4-propyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene.

Molecular Properties

Compound Name10,10-dimethyl-4-propyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene
PubChem CID10494099
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name10,10-dimethyl-4-propyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene
SMILESCCCc1nc2c(o1)c1c(c3ccccc32)OC(C)(C)CC1
InChIInChI=1S/C19H21NO2/c1-4-7-15-20-16-12-8-5-6-9-13(12)17-14(18(16)21-15)10-11-19(2,3)22-17/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKeyPNJRBKPLSVUHIG-UHFFFAOYSA-N
XLogP5.04
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10,10-dimethyl-4-propyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-4-propyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene?
The IUPAC name of 10,10-dimethyl-4-propyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene (CID 10494099) is 10,10-dimethyl-4-propyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene.
What is the SMILES notation for 10,10-dimethyl-4-propyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene?
The canonical SMILES for 10,10-dimethyl-4-propyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene is CCCc1nc2c(o1)c1c(c3ccccc32)OC(C)(C)CC1.
What is the InChIKey of 10,10-dimethyl-4-propyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene?
The InChIKey is PNJRBKPLSVUHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-4-7-15-20-16-12-8-5-6-9-13(12)17-14(18(16)21-15)10-11-19(2,3)22-17/h5-6,8-9H,4,7,10-11H2,1-3H3.
What are the key properties of 10,10-dimethyl-4-propyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene?
10,10-dimethyl-4-propyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene has a molecular weight of 295.38 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-4-propyl-5,11-dioxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),13,15-hexaene is sourced from PubChem (CID 10494099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).