5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene

C14H24N4 — CID 66661341

IUPAC5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene
SMILESCC1=C/C(C)=N/CCNC(C)=C/C(C)=N/CCN1
InChIInChI=1S/C14H24N4/c1-11-9-12(2)16-7-8-18-14(4)10-13(3)17-6-5-15-11/h9-10,15,18H,5-8H2,1-4H3/b11-9?,14-10?,16-12+,17-13+
InChIKeyPVDLWZZCIHGHSJ-XGINALFFSA-N
MW248.37 g/mol
LogP1.91
Rot. Bonds

About 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene

5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene (PubChem CID 66661341) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene.

Molecular Properties

Compound Name5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene
PubChem CID66661341
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene
SMILESCC1=C/C(C)=N/CCNC(C)=C/C(C)=N/CCN1
InChIInChI=1S/C14H24N4/c1-11-9-12(2)16-7-8-18-14(4)10-13(3)17-6-5-15-11/h9-10,15,18H,5-8H2,1-4H3/b11-9?,14-10?,16-12+,17-13+
InChIKeyPVDLWZZCIHGHSJ-XGINALFFSA-N
XLogP1.91
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene?
The IUPAC name of 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene (CID 66661341) is 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene.
What is the SMILES notation for 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene?
The canonical SMILES for 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene is CC1=C/C(C)=N/CCNC(C)=C/C(C)=N/CCN1.
What is the InChIKey of 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene?
The InChIKey is PVDLWZZCIHGHSJ-XGINALFFSA-N. The full InChI is InChI=1S/C14H24N4/c1-11-9-12(2)16-7-8-18-14(4)10-13(3)17-6-5-15-11/h9-10,15,18H,5-8H2,1-4H3/b11-9?,14-10?,16-12+,17-13+.
What are the key properties of 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene?
5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene has a molecular weight of 248.37 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,6,11,13-tetraene is sourced from PubChem (CID 66661341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).