10-methyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(21),2,4,6,17,19-hexaene-3,21-diamine

C20H26N2O2 — CID 147328545

IUPAC10-methyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(21),2,4,6,17,19-hexaene-3,21-diamine
SMILESCC1CCCCCOc2cccc(N)c2-c2c(N)cccc2OC1
InChIInChI=1S/C20H26N2O2/c1-14-7-3-2-4-12-23-17-10-5-8-15(21)19(17)20-16(22)9-6-11-18(20)24-13-14/h5-6,8-11,14H,2-4,7,12-13,21-22H2,1H3
InChIKeyDBFFNVBGZAANPR-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.49
Rot. Bonds

About 10-methyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(21),2,4,6,17,19-hexaene-3,21-diamine

10-methyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(21),2,4,6,17,19-hexaene-3,21-diamine (PubChem CID 147328545) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 10-methyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(21),2,4,6,17,19-hexaene-3,21-diamine.

Molecular Properties

Compound Name10-methyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(21),2,4,6,17,19-hexaene-3,21-diamine
PubChem CID147328545
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name10-methyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(21),2,4,6,17,19-hexaene-3,21-diamine
SMILESCC1CCCCCOc2cccc(N)c2-c2c(N)cccc2OC1
InChIInChI=1S/C20H26N2O2/c1-14-7-3-2-4-12-23-17-10-5-8-15(21)19(17)20-16(22)9-6-11-18(20)24-13-14/h5-6,8-11,14H,2-4,7,12-13,21-22H2,1H3
InChIKeyDBFFNVBGZAANPR-UHFFFAOYSA-N
XLogP4.49
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-methyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(21),2,4,6,17,19-hexaene-3,21-diamine 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 10-methyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(21),2,4,6,17,19-hexaene-3,21-diamine?
The IUPAC name of 10-methyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(21),2,4,6,17,19-hexaene-3,21-diamine (CID 147328545) is 10-methyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(21),2,4,6,17,19-hexaene-3,21-diamine.
What is the SMILES notation for 10-methyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(21),2,4,6,17,19-hexaene-3,21-diamine?
The canonical SMILES for 10-methyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(21),2,4,6,17,19-hexaene-3,21-diamine is CC1CCCCCOc2cccc(N)c2-c2c(N)cccc2OC1.
What is the InChIKey of 10-methyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(21),2,4,6,17,19-hexaene-3,21-diamine?
The InChIKey is DBFFNVBGZAANPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-7-3-2-4-12-23-17-10-5-8-15(21)19(17)20-16(22)9-6-11-18(20)24-13-14/h5-6,8-11,14H,2-4,7,12-13,21-22H2,1H3.
What are the key properties of 10-methyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(21),2,4,6,17,19-hexaene-3,21-diamine?
10-methyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(21),2,4,6,17,19-hexaene-3,21-diamine has a molecular weight of 326.44 g/mol, XLogP of 4.49, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(21),2,4,6,17,19-hexaene-3,21-diamine is sourced from PubChem (CID 147328545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).