2-phenyl-1,4,7,10-tetrazacyclododecane

C14H24N4 — CID 10901007

IUPAC2-phenyl-1,4,7,10-tetrazacyclododecane
SMILESc1ccc(C2CNCCNCCNCCN2)cc1
InChIInChI=1S/C14H24N4/c1-2-4-13(5-3-1)14-12-17-9-8-15-6-7-16-10-11-18-14/h1-5,14-18H,6-12H2
InChIKeyBDGODZSIIUFSSF-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.10
Rot. Bonds1

About 2-phenyl-1,4,7,10-tetrazacyclododecane

2-phenyl-1,4,7,10-tetrazacyclododecane (PubChem CID 10901007) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-phenyl-1,4,7,10-tetrazacyclododecane.

Molecular Properties

Compound Name2-phenyl-1,4,7,10-tetrazacyclododecane
PubChem CID10901007
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-phenyl-1,4,7,10-tetrazacyclododecane
SMILESc1ccc(C2CNCCNCCNCCN2)cc1
InChIInChI=1S/C14H24N4/c1-2-4-13(5-3-1)14-12-17-9-8-15-6-7-16-10-11-18-14/h1-5,14-18H,6-12H2
InChIKeyBDGODZSIIUFSSF-UHFFFAOYSA-N
XLogP0.10
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,4,7,10-tetrazacyclododecane?
The IUPAC name of 2-phenyl-1,4,7,10-tetrazacyclododecane (CID 10901007) is 2-phenyl-1,4,7,10-tetrazacyclododecane.
What is the SMILES notation for 2-phenyl-1,4,7,10-tetrazacyclododecane?
The canonical SMILES for 2-phenyl-1,4,7,10-tetrazacyclododecane is c1ccc(C2CNCCNCCNCCN2)cc1.
What is the InChIKey of 2-phenyl-1,4,7,10-tetrazacyclododecane?
The InChIKey is BDGODZSIIUFSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-2-4-13(5-3-1)14-12-17-9-8-15-6-7-16-10-11-18-14/h1-5,14-18H,6-12H2.
What are the key properties of 2-phenyl-1,4,7,10-tetrazacyclododecane?
2-phenyl-1,4,7,10-tetrazacyclododecane has a molecular weight of 248.37 g/mol, XLogP of 0.10, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,4,7,10-tetrazacyclododecane is sourced from PubChem (CID 10901007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).