1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane

C16H38N6O2 — CID 5250737

IUPAC1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane
SMILESC1CNCCOCCNCCNCCNCCOCCNCCN1
InChIInChI=1S/C16H38N6O2/c1-5-19-9-13-23-15-11-21-7-3-18-4-8-22-12-16-24-14-10-20-6-2-17-1/h17-22H,1-16H2
InChIKeyFZKLASLLXQWAPO-UHFFFAOYSA-N
MW346.52 g/mol
LogP-2.43
Rot. Bonds

About 1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane

1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane (PubChem CID 5250737) has the molecular formula C16H38N6O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane.

Molecular Properties

Compound Name1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane
PubChem CID5250737
Molecular FormulaC16H38N6O2
Molecular Weight346.52 g/mol
Exact Mass346.31
IUPAC Name1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane
SMILESC1CNCCOCCNCCNCCNCCOCCNCCN1
InChIInChI=1S/C16H38N6O2/c1-5-19-9-13-23-15-11-21-7-3-18-4-8-22-12-16-24-14-10-20-6-2-17-1/h17-22H,1-16H2
InChIKeyFZKLASLLXQWAPO-UHFFFAOYSA-N
XLogP-2.43
TPSA90.64 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 5-2.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,7-Dioxa-4,10-diazacyclododecane
CID 67522
1-Oxa-4,7,10-triazacyclododecane
CID 771596
1,4-Dioxa-7,10,13-triazacyclopentadecane
CID 5155370
1,4,7-Trioxa-10,13-diazacyclopentadecane
CID 10656458
1,10-Dioxa-4,7,13,16-tetraazacyclooctadecane
CID 12979032
1,4,7,13,16,19-Hexaoxa-10,22-diazacyclotetracosane
CID 4378274
1,4,7-Trioxa-10,13,16-triazacyclooctadecane
CID 3333839
1-Oxa-4,7,10,13-tetraazacyclopentadecane
CID 12342764
1,7,13-Trioxa-4,10,16-triazacyclooctadecane
CID 12720164
1,4,10,13-Tetraaza-7-oxatridecane
CID 23422463
2-[13-(2-Aminoethyl)-1,4,10-trioxa-7,13-diazacyclopentadecan-7-yl]ethylamine
CID 86006351
Azacryptand
CID 129651752

Frequently Asked Questions

What is the IUPAC name of 1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane?
The IUPAC name of 1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane (CID 5250737) is 1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane.
What is the SMILES notation for 1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane?
The canonical SMILES for 1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane is C1CNCCOCCNCCNCCNCCOCCNCCN1.
What is the InChIKey of 1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane?
The InChIKey is FZKLASLLXQWAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N6O2/c1-5-19-9-13-23-15-11-21-7-3-18-4-8-22-12-16-24-14-10-20-6-2-17-1/h17-22H,1-16H2.
What are the key properties of 1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane?
1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane has a molecular weight of 346.52 g/mol, XLogP of -2.43, 0 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane is sourced from PubChem (CID 5250737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).