8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine

C15H13N3O — CID 81463271

IUPAC8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine
SMILESNCc1ccn2c3c(nc2c1)-c1ccccc1OC3
InChIInChI=1S/C15H13N3O/c16-8-10-5-6-18-12-9-19-13-4-2-1-3-11(13)15(12)17-14(18)7-10/h1-7H,8-9,16H2
InChIKeyRANPRFNIHREFIV-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.35
Rot. Bonds1

About 8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine

8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine (PubChem CID 81463271) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine.

Molecular Properties

Compound Name8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine
PubChem CID81463271
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine
SMILESNCc1ccn2c3c(nc2c1)-c1ccccc1OC3
InChIInChI=1S/C15H13N3O/c16-8-10-5-6-18-12-9-19-13-4-2-1-3-11(13)15(12)17-14(18)7-10/h1-7H,8-9,16H2
InChIKeyRANPRFNIHREFIV-UHFFFAOYSA-N
XLogP2.35
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine?
The IUPAC name of 8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine (CID 81463271) is 8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine.
What is the SMILES notation for 8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine?
The canonical SMILES for 8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine is NCc1ccn2c3c(nc2c1)-c1ccccc1OC3.
What is the InChIKey of 8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine?
The InChIKey is RANPRFNIHREFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-8-10-5-6-18-12-9-19-13-4-2-1-3-11(13)15(12)17-14(18)7-10/h1-7H,8-9,16H2.
What are the key properties of 8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine?
8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine has a molecular weight of 251.29 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine is sourced from PubChem (CID 81463271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).