13-methoxy-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-amine

C14H15N3O — CID 59738031

IUPAC13-methoxy-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-amine
SMILESCOc1ccc2c(c1)CCCc1nc(N)cnc1-2
InChIInChI=1S/C14H15N3O/c1-18-10-5-6-11-9(7-10)3-2-4-12-14(11)16-8-13(15)17-12/h5-8H,2-4H2,1H3,(H2,15,17)
InChIKeyUYJVVOBXKNUPSX-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.22
Rot. Bonds1

About 13-methoxy-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-amine

13-methoxy-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-amine (PubChem CID 59738031) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 13-methoxy-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-amine.

Molecular Properties

Compound Name13-methoxy-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-amine
PubChem CID59738031
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name13-methoxy-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-amine
SMILESCOc1ccc2c(c1)CCCc1nc(N)cnc1-2
InChIInChI=1S/C14H15N3O/c1-18-10-5-6-11-9(7-10)3-2-4-12-14(11)16-8-13(15)17-12/h5-8H,2-4H2,1H3,(H2,15,17)
InChIKeyUYJVVOBXKNUPSX-UHFFFAOYSA-N
XLogP2.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 13-methoxy-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-amine?
The IUPAC name of 13-methoxy-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-amine (CID 59738031) is 13-methoxy-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-amine.
What is the SMILES notation for 13-methoxy-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-amine?
The canonical SMILES for 13-methoxy-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-amine is COc1ccc2c(c1)CCCc1nc(N)cnc1-2.
What is the InChIKey of 13-methoxy-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-amine?
The InChIKey is UYJVVOBXKNUPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-18-10-5-6-11-9(7-10)3-2-4-12-14(11)16-8-13(15)17-12/h5-8H,2-4H2,1H3,(H2,15,17).
What are the key properties of 13-methoxy-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-amine?
13-methoxy-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-amine has a molecular weight of 241.29 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methoxy-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-amine is sourced from PubChem (CID 59738031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).