1,4,11,14-tetrazacycloicosane

C16H36N4 — CID 10989751

IUPAC1,4,11,14-tetrazacycloicosane
SMILESC1CCCNCCNCCCCCCNCCNCC1
InChIInChI=1S/C16H36N4/c1-2-6-10-18-15-16-20-12-8-4-3-7-11-19-14-13-17-9-5-1/h17-20H,1-16H2
InChIKeyKIGYFCFRBYPORR-UHFFFAOYSA-N
MW284.49 g/mol
LogP1.48
Rot. Bonds

About 1,4,11,14-tetrazacycloicosane

1,4,11,14-tetrazacycloicosane (PubChem CID 10989751) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is 1,4,11,14-tetrazacycloicosane.

Molecular Properties

Compound Name1,4,11,14-tetrazacycloicosane
PubChem CID10989751
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC Name1,4,11,14-tetrazacycloicosane
SMILESC1CCCNCCNCCCCCCNCCNCC1
InChIInChI=1S/C16H36N4/c1-2-6-10-18-15-16-20-12-8-4-3-7-11-19-14-13-17-9-5-1/h17-20H,1-16H2
InChIKeyKIGYFCFRBYPORR-UHFFFAOYSA-N
XLogP1.48
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.48
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 1,4,11,14-tetrazacycloicosane?
The IUPAC name of 1,4,11,14-tetrazacycloicosane (CID 10989751) is 1,4,11,14-tetrazacycloicosane.
What is the SMILES notation for 1,4,11,14-tetrazacycloicosane?
The canonical SMILES for 1,4,11,14-tetrazacycloicosane is C1CCCNCCNCCCCCCNCCNCC1.
What is the InChIKey of 1,4,11,14-tetrazacycloicosane?
The InChIKey is KIGYFCFRBYPORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4/c1-2-6-10-18-15-16-20-12-8-4-3-7-11-19-14-13-17-9-5-1/h17-20H,1-16H2.
What are the key properties of 1,4,11,14-tetrazacycloicosane?
1,4,11,14-tetrazacycloicosane has a molecular weight of 284.49 g/mol, XLogP of 1.48, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,11,14-tetrazacycloicosane is sourced from PubChem (CID 10989751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).