1,4,7,10-tetramethyl-1,4,7,10-tetrazacyclododecane

C12H28N4 — CID 3059283

IUPAC1,4,7,10-tetramethyl-1,4,7,10-tetrazacyclododecane
SMILESCN1CCN(C)CCN(C)CCN(C)CC1
InChIInChI=1S/C12H28N4/c1-13-5-7-14(2)9-11-16(4)12-10-15(3)8-6-13/h5-12H2,1-4H3
InChIKeySTYFDKOQURBOGQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP-0.27
Rot. Bonds

About 1,4,7,10-tetramethyl-1,4,7,10-tetrazacyclododecane

1,4,7,10-tetramethyl-1,4,7,10-tetrazacyclododecane (PubChem CID 3059283) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,4,7,10-tetramethyl-1,4,7,10-tetrazacyclododecane.

Molecular Properties

Compound Name1,4,7,10-tetramethyl-1,4,7,10-tetrazacyclododecane
PubChem CID3059283
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Name1,4,7,10-tetramethyl-1,4,7,10-tetrazacyclododecane
SMILESCN1CCN(C)CCN(C)CCN(C)CC1
InChIInChI=1S/C12H28N4/c1-13-5-7-14(2)9-11-16(4)12-10-15(3)8-6-13/h5-12H2,1-4H3
InChIKeySTYFDKOQURBOGQ-UHFFFAOYSA-N
XLogP-0.27
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetramethyl-1,4,7,10-tetrazacyclododecane?
The IUPAC name of 1,4,7,10-tetramethyl-1,4,7,10-tetrazacyclododecane (CID 3059283) is 1,4,7,10-tetramethyl-1,4,7,10-tetrazacyclododecane.
What is the SMILES notation for 1,4,7,10-tetramethyl-1,4,7,10-tetrazacyclododecane?
The canonical SMILES for 1,4,7,10-tetramethyl-1,4,7,10-tetrazacyclododecane is CN1CCN(C)CCN(C)CCN(C)CC1.
What is the InChIKey of 1,4,7,10-tetramethyl-1,4,7,10-tetrazacyclododecane?
The InChIKey is STYFDKOQURBOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-13-5-7-14(2)9-11-16(4)12-10-15(3)8-6-13/h5-12H2,1-4H3.
What are the key properties of 1,4,7,10-tetramethyl-1,4,7,10-tetrazacyclododecane?
1,4,7,10-tetramethyl-1,4,7,10-tetrazacyclododecane has a molecular weight of 228.38 g/mol, XLogP of -0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetramethyl-1,4,7,10-tetrazacyclododecane is sourced from PubChem (CID 3059283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).