18-methyl-3,6,9,12,15-pentaoxa-18,20-diazabicyclo[15.2.1]icosa-1(19),17(20)-diene

C14H24N2O5 — CID 164575614

IUPAC18-methyl-3,6,9,12,15-pentaoxa-18,20-diazabicyclo[15.2.1]icosa-1(19),17(20)-diene
SMILESCn1cc2nc1COCCOCCOCCOCCOC2
InChIInChI=1S/C14H24N2O5/c1-16-10-13-11-20-8-6-18-4-2-17-3-5-19-7-9-21-12-14(16)15-13/h10H,2-9,11-12H2,1H3
InChIKeyWSHYONNGBCQOAQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.52
Rot. Bonds

About 18-methyl-3,6,9,12,15-pentaoxa-18,20-diazabicyclo[15.2.1]icosa-1(19),17(20)-diene

18-methyl-3,6,9,12,15-pentaoxa-18,20-diazabicyclo[15.2.1]icosa-1(19),17(20)-diene (PubChem CID 164575614) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 18-methyl-3,6,9,12,15-pentaoxa-18,20-diazabicyclo[15.2.1]icosa-1(19),17(20)-diene.

Molecular Properties

Compound Name18-methyl-3,6,9,12,15-pentaoxa-18,20-diazabicyclo[15.2.1]icosa-1(19),17(20)-diene
PubChem CID164575614
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name18-methyl-3,6,9,12,15-pentaoxa-18,20-diazabicyclo[15.2.1]icosa-1(19),17(20)-diene
SMILESCn1cc2nc1COCCOCCOCCOCCOC2
InChIInChI=1S/C14H24N2O5/c1-16-10-13-11-20-8-6-18-4-2-17-3-5-19-7-9-21-12-14(16)15-13/h10H,2-9,11-12H2,1H3
InChIKeyWSHYONNGBCQOAQ-UHFFFAOYSA-N
XLogP0.52
TPSA63.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 18-methyl-3,6,9,12,15-pentaoxa-18,20-diazabicyclo[15.2.1]icosa-1(19),17(20)-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 18-methyl-3,6,9,12,15-pentaoxa-18,20-diazabicyclo[15.2.1]icosa-1(19),17(20)-diene?
The IUPAC name of 18-methyl-3,6,9,12,15-pentaoxa-18,20-diazabicyclo[15.2.1]icosa-1(19),17(20)-diene (CID 164575614) is 18-methyl-3,6,9,12,15-pentaoxa-18,20-diazabicyclo[15.2.1]icosa-1(19),17(20)-diene.
What is the SMILES notation for 18-methyl-3,6,9,12,15-pentaoxa-18,20-diazabicyclo[15.2.1]icosa-1(19),17(20)-diene?
The canonical SMILES for 18-methyl-3,6,9,12,15-pentaoxa-18,20-diazabicyclo[15.2.1]icosa-1(19),17(20)-diene is Cn1cc2nc1COCCOCCOCCOCCOC2.
What is the InChIKey of 18-methyl-3,6,9,12,15-pentaoxa-18,20-diazabicyclo[15.2.1]icosa-1(19),17(20)-diene?
The InChIKey is WSHYONNGBCQOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-16-10-13-11-20-8-6-18-4-2-17-3-5-19-7-9-21-12-14(16)15-13/h10H,2-9,11-12H2,1H3.
What are the key properties of 18-methyl-3,6,9,12,15-pentaoxa-18,20-diazabicyclo[15.2.1]icosa-1(19),17(20)-diene?
18-methyl-3,6,9,12,15-pentaoxa-18,20-diazabicyclo[15.2.1]icosa-1(19),17(20)-diene has a molecular weight of 300.36 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methyl-3,6,9,12,15-pentaoxa-18,20-diazabicyclo[15.2.1]icosa-1(19),17(20)-diene is sourced from PubChem (CID 164575614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).