5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine

C17H17N3O — CID 115910833

IUPAC5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine
SMILESCOc1ccc2c(c1)CCc1c-2nc2c(C)cc(N)cn12
InChIInChI=1S/C17H17N3O/c1-10-7-12(18)9-20-15-6-3-11-8-13(21-2)4-5-14(11)16(15)19-17(10)20/h4-5,7-9H,3,6,18H2,1-2H3
InChIKeyNBMIBZMIULLYDS-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.00
Rot. Bonds1

About 5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine

5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine (PubChem CID 115910833) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine.

Molecular Properties

Compound Name5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine
PubChem CID115910833
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine
SMILESCOc1ccc2c(c1)CCc1c-2nc2c(C)cc(N)cn12
InChIInChI=1S/C17H17N3O/c1-10-7-12(18)9-20-15-6-3-11-8-13(21-2)4-5-14(11)16(15)19-17(10)20/h4-5,7-9H,3,6,18H2,1-2H3
InChIKeyNBMIBZMIULLYDS-UHFFFAOYSA-N
XLogP3.00
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine?
The IUPAC name of 5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine (CID 115910833) is 5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine.
What is the SMILES notation for 5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine?
The canonical SMILES for 5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine is COc1ccc2c(c1)CCc1c-2nc2c(C)cc(N)cn12.
What is the InChIKey of 5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine?
The InChIKey is NBMIBZMIULLYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-10-7-12(18)9-20-15-6-3-11-8-13(21-2)4-5-14(11)16(15)19-17(10)20/h4-5,7-9H,3,6,18H2,1-2H3.
What are the key properties of 5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine?
5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine has a molecular weight of 279.34 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine is sourced from PubChem (CID 115910833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).