5-ethyl-10,11-dimethoxy-1,2,3,4-tetrazacyclododecane

C12H28N4O2 — CID 174753758

IUPAC5-ethyl-10,11-dimethoxy-1,2,3,4-tetrazacyclododecane
SMILESCCC1CCCCC(OC)C(OC)CNNNN1
InChIInChI=1S/C12H28N4O2/c1-4-10-7-5-6-8-11(17-2)12(18-3)9-13-15-16-14-10/h10-16H,4-9H2,1-3H3
InChIKeyFRVGHWLVDOBFLJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.47
Rot. Bonds3

About 5-ethyl-10,11-dimethoxy-1,2,3,4-tetrazacyclododecane

5-ethyl-10,11-dimethoxy-1,2,3,4-tetrazacyclododecane (PubChem CID 174753758) has the molecular formula C12H28N4O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-ethyl-10,11-dimethoxy-1,2,3,4-tetrazacyclododecane.

Molecular Properties

Compound Name5-ethyl-10,11-dimethoxy-1,2,3,4-tetrazacyclododecane
PubChem CID174753758
Molecular FormulaC12H28N4O2
Molecular Weight260.38 g/mol
Exact Mass260.22
IUPAC Name5-ethyl-10,11-dimethoxy-1,2,3,4-tetrazacyclododecane
SMILESCCC1CCCCC(OC)C(OC)CNNNN1
InChIInChI=1S/C12H28N4O2/c1-4-10-7-5-6-8-11(17-2)12(18-3)9-13-15-16-14-10/h10-16H,4-9H2,1-3H3
InChIKeyFRVGHWLVDOBFLJ-UHFFFAOYSA-N
XLogP0.47
TPSA66.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-10,11-dimethoxy-1,2,3,4-tetrazacyclododecane?
The IUPAC name of 5-ethyl-10,11-dimethoxy-1,2,3,4-tetrazacyclododecane (CID 174753758) is 5-ethyl-10,11-dimethoxy-1,2,3,4-tetrazacyclododecane.
What is the SMILES notation for 5-ethyl-10,11-dimethoxy-1,2,3,4-tetrazacyclododecane?
The canonical SMILES for 5-ethyl-10,11-dimethoxy-1,2,3,4-tetrazacyclododecane is CCC1CCCCC(OC)C(OC)CNNNN1.
What is the InChIKey of 5-ethyl-10,11-dimethoxy-1,2,3,4-tetrazacyclododecane?
The InChIKey is FRVGHWLVDOBFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O2/c1-4-10-7-5-6-8-11(17-2)12(18-3)9-13-15-16-14-10/h10-16H,4-9H2,1-3H3.
What are the key properties of 5-ethyl-10,11-dimethoxy-1,2,3,4-tetrazacyclododecane?
5-ethyl-10,11-dimethoxy-1,2,3,4-tetrazacyclododecane has a molecular weight of 260.38 g/mol, XLogP of 0.47, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-10,11-dimethoxy-1,2,3,4-tetrazacyclododecane is sourced from PubChem (CID 174753758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).