1,2,3,4-tetrazacycloicosane

C16H36N4 — CID 68503706

IUPAC1,2,3,4-tetrazacycloicosane
SMILESC1CCCCCCCCNNNNCCCCCCC1
InChIInChI=1S/C16H36N4/c1-2-4-6-8-10-12-14-16-18-20-19-17-15-13-11-9-7-5-3-1/h17-20H,1-16H2
InChIKeyKSKAALOXMSAEQB-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.56
Rot. Bonds

About 1,2,3,4-tetrazacycloicosane

1,2,3,4-tetrazacycloicosane (PubChem CID 68503706) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is 1,2,3,4-tetrazacycloicosane.

Molecular Properties

Compound Name1,2,3,4-tetrazacycloicosane
PubChem CID68503706
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC Name1,2,3,4-tetrazacycloicosane
SMILESC1CCCCCCCCNNNNCCCCCCC1
InChIInChI=1S/C16H36N4/c1-2-4-6-8-10-12-14-16-18-20-19-17-15-13-11-9-7-5-3-1/h17-20H,1-16H2
InChIKeyKSKAALOXMSAEQB-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrazacycloicosane?
The IUPAC name of 1,2,3,4-tetrazacycloicosane (CID 68503706) is 1,2,3,4-tetrazacycloicosane.
What is the SMILES notation for 1,2,3,4-tetrazacycloicosane?
The canonical SMILES for 1,2,3,4-tetrazacycloicosane is C1CCCCCCCCNNNNCCCCCCC1.
What is the InChIKey of 1,2,3,4-tetrazacycloicosane?
The InChIKey is KSKAALOXMSAEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4/c1-2-4-6-8-10-12-14-16-18-20-19-17-15-13-11-9-7-5-3-1/h17-20H,1-16H2.
What are the key properties of 1,2,3,4-tetrazacycloicosane?
1,2,3,4-tetrazacycloicosane has a molecular weight of 284.49 g/mol, XLogP of 3.56, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrazacycloicosane is sourced from PubChem (CID 68503706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).