1,2,3,4,5,6,7,8,9,10,11,12-dodecamethyl-1,4,7,10-tetrazacyclododecane

C20H44N4 — CID 58816940

IUPAC1,2,3,4,5,6,7,8,9,10,11,12-dodecamethyl-1,4,7,10-tetrazacyclododecane
SMILESCC1C(C)N(C)C(C)C(C)N(C)C(C)C(C)N(C)C(C)C(C)N1C
InChIInChI=1S/C20H44N4/c1-13-14(2)22(10)17(5)18(6)24(12)20(8)19(7)23(11)16(4)15(3)21(13)9/h13-20H,1-12H3
InChIKeyFSXCBLDLTXEJHF-UHFFFAOYSA-N
MW340.60 g/mol
LogP2.84
Rot. Bonds

About 1,2,3,4,5,6,7,8,9,10,11,12-dodecamethyl-1,4,7,10-tetrazacyclododecane

1,2,3,4,5,6,7,8,9,10,11,12-dodecamethyl-1,4,7,10-tetrazacyclododecane (PubChem CID 58816940) has the molecular formula C20H44N4 and a molecular weight of 340.60 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,9,10,11,12-dodecamethyl-1,4,7,10-tetrazacyclododecane.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8,9,10,11,12-dodecamethyl-1,4,7,10-tetrazacyclododecane
PubChem CID58816940
Molecular FormulaC20H44N4
Molecular Weight340.60 g/mol
Exact Mass340.36
IUPAC Name1,2,3,4,5,6,7,8,9,10,11,12-dodecamethyl-1,4,7,10-tetrazacyclododecane
SMILESCC1C(C)N(C)C(C)C(C)N(C)C(C)C(C)N(C)C(C)C(C)N1C
InChIInChI=1S/C20H44N4/c1-13-14(2)22(10)17(5)18(6)24(12)20(8)19(7)23(11)16(4)15(3)21(13)9/h13-20H,1-12H3
InChIKeyFSXCBLDLTXEJHF-UHFFFAOYSA-N
XLogP2.84
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8,9,10,11,12-dodecamethyl-1,4,7,10-tetrazacyclododecane?
The IUPAC name of 1,2,3,4,5,6,7,8,9,10,11,12-dodecamethyl-1,4,7,10-tetrazacyclododecane (CID 58816940) is 1,2,3,4,5,6,7,8,9,10,11,12-dodecamethyl-1,4,7,10-tetrazacyclododecane.
What is the SMILES notation for 1,2,3,4,5,6,7,8,9,10,11,12-dodecamethyl-1,4,7,10-tetrazacyclododecane?
The canonical SMILES for 1,2,3,4,5,6,7,8,9,10,11,12-dodecamethyl-1,4,7,10-tetrazacyclododecane is CC1C(C)N(C)C(C)C(C)N(C)C(C)C(C)N(C)C(C)C(C)N1C.
What is the InChIKey of 1,2,3,4,5,6,7,8,9,10,11,12-dodecamethyl-1,4,7,10-tetrazacyclododecane?
The InChIKey is FSXCBLDLTXEJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N4/c1-13-14(2)22(10)17(5)18(6)24(12)20(8)19(7)23(11)16(4)15(3)21(13)9/h13-20H,1-12H3.
What are the key properties of 1,2,3,4,5,6,7,8,9,10,11,12-dodecamethyl-1,4,7,10-tetrazacyclododecane?
1,2,3,4,5,6,7,8,9,10,11,12-dodecamethyl-1,4,7,10-tetrazacyclododecane has a molecular weight of 340.60 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8,9,10,11,12-dodecamethyl-1,4,7,10-tetrazacyclododecane is sourced from PubChem (CID 58816940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).