1,2,3-trimethyl-1,2,3-triazacyclododecane

C12H27N3 — CID 54412174

IUPAC1,2,3-trimethyl-1,2,3-triazacyclododecane
SMILESCN1CCCCCCCCCN(C)N1C
InChIInChI=1S/C12H27N3/c1-13-11-9-7-5-4-6-8-10-12-14(2)15(13)3/h4-12H2,1-3H3
InChIKeyVUXBPNMRSUBXKZ-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.36
Rot. Bonds

About 1,2,3-trimethyl-1,2,3-triazacyclododecane

1,2,3-trimethyl-1,2,3-triazacyclododecane (PubChem CID 54412174) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1,2,3-trimethyl-1,2,3-triazacyclododecane.

Molecular Properties

Compound Name1,2,3-trimethyl-1,2,3-triazacyclododecane
PubChem CID54412174
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1,2,3-trimethyl-1,2,3-triazacyclododecane
SMILESCN1CCCCCCCCCN(C)N1C
InChIInChI=1S/C12H27N3/c1-13-11-9-7-5-4-6-8-10-12-14(2)15(13)3/h4-12H2,1-3H3
InChIKeyVUXBPNMRSUBXKZ-UHFFFAOYSA-N
XLogP2.36
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-1,2,3-triazacyclododecane?
The IUPAC name of 1,2,3-trimethyl-1,2,3-triazacyclododecane (CID 54412174) is 1,2,3-trimethyl-1,2,3-triazacyclododecane.
What is the SMILES notation for 1,2,3-trimethyl-1,2,3-triazacyclododecane?
The canonical SMILES for 1,2,3-trimethyl-1,2,3-triazacyclododecane is CN1CCCCCCCCCN(C)N1C.
What is the InChIKey of 1,2,3-trimethyl-1,2,3-triazacyclododecane?
The InChIKey is VUXBPNMRSUBXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-13-11-9-7-5-4-6-8-10-12-14(2)15(13)3/h4-12H2,1-3H3.
What are the key properties of 1,2,3-trimethyl-1,2,3-triazacyclododecane?
1,2,3-trimethyl-1,2,3-triazacyclododecane has a molecular weight of 213.37 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-1,2,3-triazacyclododecane is sourced from PubChem (CID 54412174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).