2-methoxy-1,4,10-trimethyl-1,4,7,10-tetrazacyclododecane

C12H28N4O — CID 173283248

IUPAC2-methoxy-1,4,10-trimethyl-1,4,7,10-tetrazacyclododecane
SMILESCOC1CN(C)CCNCCN(C)CCN1C
InChIInChI=1S/C12H28N4O/c1-14-7-5-13-6-8-15(2)11-12(17-4)16(3)10-9-14/h12-13H,5-11H2,1-4H3
InChIKeyLEPUCTMJZPJBRP-UHFFFAOYSA-N
MW244.38 g/mol
LogP-0.64
Rot. Bonds1

About 2-methoxy-1,4,10-trimethyl-1,4,7,10-tetrazacyclododecane

2-methoxy-1,4,10-trimethyl-1,4,7,10-tetrazacyclododecane (PubChem CID 173283248) has the molecular formula C12H28N4O and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-methoxy-1,4,10-trimethyl-1,4,7,10-tetrazacyclododecane.

Molecular Properties

Compound Name2-methoxy-1,4,10-trimethyl-1,4,7,10-tetrazacyclododecane
PubChem CID173283248
Molecular FormulaC12H28N4O
Molecular Weight244.38 g/mol
Exact Mass244.23
IUPAC Name2-methoxy-1,4,10-trimethyl-1,4,7,10-tetrazacyclododecane
SMILESCOC1CN(C)CCNCCN(C)CCN1C
InChIInChI=1S/C12H28N4O/c1-14-7-5-13-6-8-15(2)11-12(17-4)16(3)10-9-14/h12-13H,5-11H2,1-4H3
InChIKeyLEPUCTMJZPJBRP-UHFFFAOYSA-N
XLogP-0.64
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,4,10-trimethyl-1,4,7,10-tetrazacyclododecane?
The IUPAC name of 2-methoxy-1,4,10-trimethyl-1,4,7,10-tetrazacyclododecane (CID 173283248) is 2-methoxy-1,4,10-trimethyl-1,4,7,10-tetrazacyclododecane.
What is the SMILES notation for 2-methoxy-1,4,10-trimethyl-1,4,7,10-tetrazacyclododecane?
The canonical SMILES for 2-methoxy-1,4,10-trimethyl-1,4,7,10-tetrazacyclododecane is COC1CN(C)CCNCCN(C)CCN1C.
What is the InChIKey of 2-methoxy-1,4,10-trimethyl-1,4,7,10-tetrazacyclododecane?
The InChIKey is LEPUCTMJZPJBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O/c1-14-7-5-13-6-8-15(2)11-12(17-4)16(3)10-9-14/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-methoxy-1,4,10-trimethyl-1,4,7,10-tetrazacyclododecane?
2-methoxy-1,4,10-trimethyl-1,4,7,10-tetrazacyclododecane has a molecular weight of 244.38 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,4,10-trimethyl-1,4,7,10-tetrazacyclododecane is sourced from PubChem (CID 173283248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).