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

C11H26N4O2 — CID 174753760

IUPAC10,11-dimethoxy-5-methyl-1,2,3,4-tetrazacyclododecane
SMILESCOC1CCCCC(C)NNNNCC1OC
InChIInChI=1S/C11H26N4O2/c1-9-6-4-5-7-10(16-2)11(17-3)8-12-14-15-13-9/h9-15H,4-8H2,1-3H3
InChIKeyPKOBSGNMNCDRLR-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.08
Rot. Bonds2

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

10,11-dimethoxy-5-methyl-1,2,3,4-tetrazacyclododecane (PubChem CID 174753760) has the molecular formula C11H26N4O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 10,11-dimethoxy-5-methyl-1,2,3,4-tetrazacyclododecane.

Molecular Properties

Compound Name10,11-dimethoxy-5-methyl-1,2,3,4-tetrazacyclododecane
PubChem CID174753760
Molecular FormulaC11H26N4O2
Molecular Weight246.35 g/mol
Exact Mass246.21
IUPAC Name10,11-dimethoxy-5-methyl-1,2,3,4-tetrazacyclododecane
SMILESCOC1CCCCC(C)NNNNCC1OC
InChIInChI=1S/C11H26N4O2/c1-9-6-4-5-7-10(16-2)11(17-3)8-12-14-15-13-9/h9-15H,4-8H2,1-3H3
InChIKeyPKOBSGNMNCDRLR-UHFFFAOYSA-N
XLogP0.08
TPSA66.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 10,11-dimethoxy-5-methyl-1,2,3,4-tetrazacyclododecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10,11-dimethoxy-5-methyl-1,2,3,4-tetrazacyclododecane?
The IUPAC name of 10,11-dimethoxy-5-methyl-1,2,3,4-tetrazacyclododecane (CID 174753760) is 10,11-dimethoxy-5-methyl-1,2,3,4-tetrazacyclododecane.
What is the SMILES notation for 10,11-dimethoxy-5-methyl-1,2,3,4-tetrazacyclododecane?
The canonical SMILES for 10,11-dimethoxy-5-methyl-1,2,3,4-tetrazacyclododecane is COC1CCCCC(C)NNNNCC1OC.
What is the InChIKey of 10,11-dimethoxy-5-methyl-1,2,3,4-tetrazacyclododecane?
The InChIKey is PKOBSGNMNCDRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O2/c1-9-6-4-5-7-10(16-2)11(17-3)8-12-14-15-13-9/h9-15H,4-8H2,1-3H3.
What are the key properties of 10,11-dimethoxy-5-methyl-1,2,3,4-tetrazacyclododecane?
10,11-dimethoxy-5-methyl-1,2,3,4-tetrazacyclododecane has a molecular weight of 246.35 g/mol, XLogP of 0.08, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-dimethoxy-5-methyl-1,2,3,4-tetrazacyclododecane is sourced from PubChem (CID 174753760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).