1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane

C24H34N2O6 — CID 2810408

IUPAC1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane
SMILESCOc1cc(CN2CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC
InChIInChI=1S/C24H34N2O6/c1-27-19-10-17(11-20(28-2)23(19)31-5)14-25-8-7-9-26(16-25)15-18-12-21(29-3)24(32-6)22(13-18)30-4/h10-13H,7-9,14-16H2,1-6H3
InChIKeySVJCJOQWKQLLJQ-UHFFFAOYSA-N
MW446.54 g/mol
LogP3.40
Rot. Bonds10

About 1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane

1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane (PubChem CID 2810408) has the molecular formula C24H34N2O6 and a molecular weight of 446.54 g/mol. Its IUPAC name is 1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane.

Molecular Properties

Compound Name1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane
PubChem CID2810408
Molecular FormulaC24H34N2O6
Molecular Weight446.54 g/mol
Exact Mass446.24
IUPAC Name1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane
SMILESCOc1cc(CN2CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC
InChIInChI=1S/C24H34N2O6/c1-27-19-10-17(11-20(28-2)23(19)31-5)14-25-8-7-9-26(16-25)15-18-12-21(29-3)24(32-6)22(13-18)30-4/h10-13H,7-9,14-16H2,1-6H3
InChIKeySVJCJOQWKQLLJQ-UHFFFAOYSA-N
XLogP3.40
TPSA61.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane?
The IUPAC name of 1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane (CID 2810408) is 1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane.
What is the SMILES notation for 1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane?
The canonical SMILES for 1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane is COc1cc(CN2CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC.
What is the InChIKey of 1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane?
The InChIKey is SVJCJOQWKQLLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O6/c1-27-19-10-17(11-20(28-2)23(19)31-5)14-25-8-7-9-26(16-25)15-18-12-21(29-3)24(32-6)22(13-18)30-4/h10-13H,7-9,14-16H2,1-6H3.
What are the key properties of 1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane?
1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane has a molecular weight of 446.54 g/mol, XLogP of 3.40, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane is sourced from PubChem (CID 2810408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).