1-(2-methoxyethyl)-3-methyl-1,5,9-triazacyclododecane

C13H29N3O — CID 175833973

IUPAC1-(2-methoxyethyl)-3-methyl-1,5,9-triazacyclododecane
SMILESCOCCN1CCCNCCCNCC(C)C1
InChIInChI=1S/C13H29N3O/c1-13-11-15-6-3-5-14-7-4-8-16(12-13)9-10-17-2/h13-15H,3-12H2,1-2H3
InChIKeyUAGWJBVYWBVOGK-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.54
Rot. Bonds3

About 1-(2-methoxyethyl)-3-methyl-1,5,9-triazacyclododecane

1-(2-methoxyethyl)-3-methyl-1,5,9-triazacyclododecane (PubChem CID 175833973) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-methyl-1,5,9-triazacyclododecane.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-methyl-1,5,9-triazacyclododecane
PubChem CID175833973
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name1-(2-methoxyethyl)-3-methyl-1,5,9-triazacyclododecane
SMILESCOCCN1CCCNCCCNCC(C)C1
InChIInChI=1S/C13H29N3O/c1-13-11-15-6-3-5-14-7-4-8-16(12-13)9-10-17-2/h13-15H,3-12H2,1-2H3
InChIKeyUAGWJBVYWBVOGK-UHFFFAOYSA-N
XLogP0.54
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-methyl-1,5,9-triazacyclododecane?
The IUPAC name of 1-(2-methoxyethyl)-3-methyl-1,5,9-triazacyclododecane (CID 175833973) is 1-(2-methoxyethyl)-3-methyl-1,5,9-triazacyclododecane.
What is the SMILES notation for 1-(2-methoxyethyl)-3-methyl-1,5,9-triazacyclododecane?
The canonical SMILES for 1-(2-methoxyethyl)-3-methyl-1,5,9-triazacyclododecane is COCCN1CCCNCCCNCC(C)C1.
What is the InChIKey of 1-(2-methoxyethyl)-3-methyl-1,5,9-triazacyclododecane?
The InChIKey is UAGWJBVYWBVOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-13-11-15-6-3-5-14-7-4-8-16(12-13)9-10-17-2/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-3-methyl-1,5,9-triazacyclododecane?
1-(2-methoxyethyl)-3-methyl-1,5,9-triazacyclododecane has a molecular weight of 243.39 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-methyl-1,5,9-triazacyclododecane is sourced from PubChem (CID 175833973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).