4,7,10-trimethyl-1-oxa-4,7,10-triazacyclododecane

C11H25N3O — CID 44791078

IUPAC4,7,10-trimethyl-1-oxa-4,7,10-triazacyclododecane
SMILESCN1CCOCCN(C)CCN(C)CC1
InChIInChI=1S/C11H25N3O/c1-12-4-6-13(2)8-10-15-11-9-14(3)7-5-12/h4-11H2,1-3H3
InChIKeyKARAYLQMVDTHJW-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.19
Rot. Bonds

About 4,7,10-trimethyl-1-oxa-4,7,10-triazacyclododecane

4,7,10-trimethyl-1-oxa-4,7,10-triazacyclododecane (PubChem CID 44791078) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 4,7,10-trimethyl-1-oxa-4,7,10-triazacyclododecane.

Molecular Properties

Compound Name4,7,10-trimethyl-1-oxa-4,7,10-triazacyclododecane
PubChem CID44791078
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name4,7,10-trimethyl-1-oxa-4,7,10-triazacyclododecane
SMILESCN1CCOCCN(C)CCN(C)CC1
InChIInChI=1S/C11H25N3O/c1-12-4-6-13(2)8-10-15-11-9-14(3)7-5-12/h4-11H2,1-3H3
InChIKeyKARAYLQMVDTHJW-UHFFFAOYSA-N
XLogP-0.19
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7,10-trimethyl-1-oxa-4,7,10-triazacyclododecane?
The IUPAC name of 4,7,10-trimethyl-1-oxa-4,7,10-triazacyclododecane (CID 44791078) is 4,7,10-trimethyl-1-oxa-4,7,10-triazacyclododecane.
What is the SMILES notation for 4,7,10-trimethyl-1-oxa-4,7,10-triazacyclododecane?
The canonical SMILES for 4,7,10-trimethyl-1-oxa-4,7,10-triazacyclododecane is CN1CCOCCN(C)CCN(C)CC1.
What is the InChIKey of 4,7,10-trimethyl-1-oxa-4,7,10-triazacyclododecane?
The InChIKey is KARAYLQMVDTHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-12-4-6-13(2)8-10-15-11-9-14(3)7-5-12/h4-11H2,1-3H3.
What are the key properties of 4,7,10-trimethyl-1-oxa-4,7,10-triazacyclododecane?
4,7,10-trimethyl-1-oxa-4,7,10-triazacyclododecane has a molecular weight of 215.34 g/mol, XLogP of -0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,10-trimethyl-1-oxa-4,7,10-triazacyclododecane is sourced from PubChem (CID 44791078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).