2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene

C16H28N4 — CID 11304215

IUPAC2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene
SMILESC/C1=N/CCC/N=C(\C)C/C(C)=N/CCC/N=C(\C)C1
InChIInChI=1S/C16H28N4/c1-13-11-14(2)18-9-6-10-20-16(4)12-15(3)19-8-5-7-17-13/h5-12H2,1-4H3/b17-13-,18-14+,19-15+,20-16+
InChIKeyWWGNUCPDCLZGEM-HAXOTXOKSA-N
MW276.43 g/mol
LogP3.40
Rot. Bonds

About 2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene

2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene (PubChem CID 11304215) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene.

Molecular Properties

Compound Name2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene
PubChem CID11304215
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene
SMILESC/C1=N/CCC/N=C(\C)C/C(C)=N/CCC/N=C(\C)C1
InChIInChI=1S/C16H28N4/c1-13-11-14(2)18-9-6-10-20-16(4)12-15(3)19-8-5-7-17-13/h5-12H2,1-4H3/b17-13-,18-14+,19-15+,20-16+
InChIKeyWWGNUCPDCLZGEM-HAXOTXOKSA-N
XLogP3.40
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,14-tetraene
CID 15304008
ethane;6-methyl-2,3,4,5-tetrahydropyridine
CID 91488935
4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione
CID 102409774
4-methyl-3-azaspiro[5.5]undec-3-ene
CID 123924928
ethane;2-methyl-5,6-dihydro-4H-1,3-oxazine
CID 91154236
1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide
CID 172820210
2,4,7-trimethyl-5,8-dihydropyrido[4,3-d]pyrimidine
CID 20647167
2-methyl-5,6-dihydro-4H-pyrimidin-1-amine
CID 142204479
1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-diazocine
CID 166904539
2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine
CID 86023388
5,7-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine
CID 12726071
1-(6-methyl-8-oxo-2,3,4,7-tetrahydro-1,5-diazocin-1-yl)ethyl dodecanoate
CID 70550078

Frequently Asked Questions

What is the IUPAC name of 2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene?
The IUPAC name of 2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene (CID 11304215) is 2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene.
What is the SMILES notation for 2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene?
The canonical SMILES for 2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene is C/C1=N/CCC/N=C(\C)C/C(C)=N/CCC/N=C(\C)C1.
What is the InChIKey of 2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene?
The InChIKey is WWGNUCPDCLZGEM-HAXOTXOKSA-N. The full InChI is InChI=1S/C16H28N4/c1-13-11-14(2)18-9-6-10-20-16(4)12-15(3)19-8-5-7-17-13/h5-12H2,1-4H3/b17-13-,18-14+,19-15+,20-16+.
What are the key properties of 2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene?
2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene has a molecular weight of 276.43 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene is sourced from PubChem (CID 11304215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).