6,7-dimethoxy-2,12-dimethyl-1,2,3,4-tetrazacyclododecane

C12H28N4O2 — CID 174754061

IUPAC6,7-dimethoxy-2,12-dimethyl-1,2,3,4-tetrazacyclododecane
SMILESCOC1CCCCC(C)NN(C)NNCC1OC
InChIInChI=1S/C12H28N4O2/c1-10-7-5-6-8-11(17-3)12(18-4)9-13-15-16(2)14-10/h10-15H,5-9H2,1-4H3
InChIKeyMRDZXEVBBOIPEV-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.42
Rot. Bonds2

About 6,7-dimethoxy-2,12-dimethyl-1,2,3,4-tetrazacyclododecane

6,7-dimethoxy-2,12-dimethyl-1,2,3,4-tetrazacyclododecane (PubChem CID 174754061) has the molecular formula C12H28N4O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 6,7-dimethoxy-2,12-dimethyl-1,2,3,4-tetrazacyclododecane.

Molecular Properties

Compound Name6,7-dimethoxy-2,12-dimethyl-1,2,3,4-tetrazacyclododecane
PubChem CID174754061
Molecular FormulaC12H28N4O2
Molecular Weight260.38 g/mol
Exact Mass260.22
IUPAC Name6,7-dimethoxy-2,12-dimethyl-1,2,3,4-tetrazacyclododecane
SMILESCOC1CCCCC(C)NN(C)NNCC1OC
InChIInChI=1S/C12H28N4O2/c1-10-7-5-6-8-11(17-3)12(18-4)9-13-15-16(2)14-10/h10-15H,5-9H2,1-4H3
InChIKeyMRDZXEVBBOIPEV-UHFFFAOYSA-N
XLogP0.42
TPSA57.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2,12-dimethyl-1,2,3,4-tetrazacyclododecane?
The IUPAC name of 6,7-dimethoxy-2,12-dimethyl-1,2,3,4-tetrazacyclododecane (CID 174754061) is 6,7-dimethoxy-2,12-dimethyl-1,2,3,4-tetrazacyclododecane.
What is the SMILES notation for 6,7-dimethoxy-2,12-dimethyl-1,2,3,4-tetrazacyclododecane?
The canonical SMILES for 6,7-dimethoxy-2,12-dimethyl-1,2,3,4-tetrazacyclododecane is COC1CCCCC(C)NN(C)NNCC1OC.
What is the InChIKey of 6,7-dimethoxy-2,12-dimethyl-1,2,3,4-tetrazacyclododecane?
The InChIKey is MRDZXEVBBOIPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O2/c1-10-7-5-6-8-11(17-3)12(18-4)9-13-15-16(2)14-10/h10-15H,5-9H2,1-4H3.
What are the key properties of 6,7-dimethoxy-2,12-dimethyl-1,2,3,4-tetrazacyclododecane?
6,7-dimethoxy-2,12-dimethyl-1,2,3,4-tetrazacyclododecane has a molecular weight of 260.38 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2,12-dimethyl-1,2,3,4-tetrazacyclododecane is sourced from PubChem (CID 174754061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).