9,12-dimethoxy-5-methyl-4,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-13-amine

C15H19N3O2 — CID 168806512

IUPAC9,12-dimethoxy-5-methyl-4,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-13-amine
SMILESCOc1cc2c(cc1N)-c1cnn(C)c1CCC2OC
InChIInChI=1S/C15H19N3O2/c1-18-13-4-5-14(19-2)10-7-15(20-3)12(16)6-9(10)11(13)8-17-18/h6-8,14H,4-5,16H2,1-3H3
InChIKeyWEVIKKODVXURLI-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.31
Rot. Bonds2

About 9,12-dimethoxy-5-methyl-4,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-13-amine

9,12-dimethoxy-5-methyl-4,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-13-amine (PubChem CID 168806512) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 9,12-dimethoxy-5-methyl-4,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-13-amine.

Molecular Properties

Compound Name9,12-dimethoxy-5-methyl-4,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-13-amine
PubChem CID168806512
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name9,12-dimethoxy-5-methyl-4,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-13-amine
SMILESCOc1cc2c(cc1N)-c1cnn(C)c1CCC2OC
InChIInChI=1S/C15H19N3O2/c1-18-13-4-5-14(19-2)10-7-15(20-3)12(16)6-9(10)11(13)8-17-18/h6-8,14H,4-5,16H2,1-3H3
InChIKeyWEVIKKODVXURLI-UHFFFAOYSA-N
XLogP2.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,12-dimethoxy-5-methyl-4,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-13-amine?
The IUPAC name of 9,12-dimethoxy-5-methyl-4,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-13-amine (CID 168806512) is 9,12-dimethoxy-5-methyl-4,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-13-amine.
What is the SMILES notation for 9,12-dimethoxy-5-methyl-4,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-13-amine?
The canonical SMILES for 9,12-dimethoxy-5-methyl-4,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-13-amine is COc1cc2c(cc1N)-c1cnn(C)c1CCC2OC.
What is the InChIKey of 9,12-dimethoxy-5-methyl-4,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-13-amine?
The InChIKey is WEVIKKODVXURLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-13-4-5-14(19-2)10-7-15(20-3)12(16)6-9(10)11(13)8-17-18/h6-8,14H,4-5,16H2,1-3H3.
What are the key properties of 9,12-dimethoxy-5-methyl-4,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-13-amine?
9,12-dimethoxy-5-methyl-4,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-13-amine has a molecular weight of 273.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,12-dimethoxy-5-methyl-4,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-13-amine is sourced from PubChem (CID 168806512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).