1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracosane;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol;1,4,10,13-tetraoxa-7-azacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxacyclododec-2-ylmethanol

C108H222N6O49 — CID 161238811

About 1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracosane;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol;1,4,10,13-tetraoxa-7-azacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxacyclododec-2-ylmethanol

1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracosane;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol;1,4,10,13-tetraoxa-7-azacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxacyclododec-2-ylmethanol (PubChem CID 161238811) has the molecular formula C108H222N6O49 and a molecular weight of 2388.96 g/mol. Its IUPAC name is 1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracosane;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol;1,4,10,13-tetraoxa-7-azacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxacyclododec-2-ylmethanol.

Molecular Properties

• Compound Name: 1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracosane;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol;1,4,10,13-tetraoxa-7-azacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxacyclododec-2-ylmethanol
• PubChem CID: 161238811
• Molecular Formula: C108H222N6O49
• Molecular Weight: 2388.96 g/mol
• Exact Mass: 2387.51
• IUPAC Name: 1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracosane;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol;1,4,10,13-tetraoxa-7-azacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxacyclododec-2-ylmethanol
• SMILES: C1CCOCCOCCNCCOCCOCC1.C1COCCOCCOCCOCCN1.C1COCCOCCOCCOCCOCCN1.C1COCCOCCOCCOCCOCCOCCOCCN1.NCC1COCCOCCOCCOCCO1.NCC1COCCOCCOCCOCCOCCO1.OCC1COCCOCCOCCO1.OCC1COCCOCCOCCOCCO1.OCC1COCCOCCOCCOCCOCCO1
• InChI: InChI=1S/C16H33NO7.C13H27NO6.C13H27NO4.C13H26O7.C12H25NO5.C11H23NO5.C11H22O6.C10H21NO4.C9H18O5/c1-3-18-5-7-20-9-11-22-13-15-24-16-14-23-12-10-21-8-6-19-4-2-17-1;14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13;1-2-6-15-10-12-17-8-4-14-5-9-18-13-11-16-7-3-1;14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13;1-3-14-5-7-16-9-11-18-12-10-17-8-6-15-4-2-13-1;2*12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11;1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1;10-7-9-8-13-4-3-11-1-2-12-5-6-14-9/h17H,1-16H2;13H,1-12,14H2;14H,1-13H2;13-14H,1-12H2;13H,1-12H2;11H,1-10,12H2;11-12H,1-10H2;11H,1-10H2;9-10H,1-8H2
• InChIKey: UZSMKZWHDIPFRI-UHFFFAOYSA-N
• XLogP: -2.97
• TPSA: 585.43 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 55
• Rotatable Bonds: 5
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2388.96
LogP ≤ 5	-2.97
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of 1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracosane;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol;1,4,10,13-tetraoxa-7-azacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxacyclododec-2-ylmethanol?

The IUPAC name of 1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracosane;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol;1,4,10,13-tetraoxa-7-azacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxacyclododec-2-ylmethanol (CID 161238811) is 1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracosane;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol;1,4,10,13-tetraoxa-7-azacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxacyclododec-2-ylmethanol.

What is the SMILES notation for 1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracosane;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol;1,4,10,13-tetraoxa-7-azacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxacyclododec-2-ylmethanol?

The canonical SMILES for 1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracosane;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol;1,4,10,13-tetraoxa-7-azacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxacyclododec-2-ylmethanol is C1CCOCCOCCNCCOCCOCC1.C1COCCOCCOCCOCCN1.C1COCCOCCOCCOCCOCCN1.C1COCCOCCOCCOCCOCCOCCOCCN1.NCC1COCCOCCOCCOCCO1.NCC1COCCOCCOCCOCCOCCO1.OCC1COCCOCCOCCO1.OCC1COCCOCCOCCOCCO1.OCC1COCCOCCOCCOCCOCCO1.

What is the InChIKey of 1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracosane;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol;1,4,10,13-tetraoxa-7-azacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxacyclododec-2-ylmethanol?

The InChIKey is UZSMKZWHDIPFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO7.C13H27NO6.C13H27NO4.C13H26O7.C12H25NO5.C11H23NO5.C11H22O6.C10H21NO4.C9H18O5/c1-3-18-5-7-20-9-11-22-13-15-24-16-14-23-12-10-21-8-6-19-4-2-17-1;14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13;1-2-6-15-10-12-17-8-4-14-5-9-18-13-11-16-7-3-1;14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13;1-3-14-5-7-16-9-11-18-12-10-17-8-6-15-4-2-13-1;2*12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11;1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1;10-7-9-8-13-4-3-11-1-2-12-5-6-14-9/h17H,1-16H2;13H,1-12,14H2;14H,1-13H2;13-14H,1-12H2;13H,1-12H2;11H,1-10,12H2;11-12H,1-10H2;11H,1-10H2;9-10H,1-8H2.

What are the key properties of 1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracosane;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol;1,4,10,13-tetraoxa-7-azacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxacyclododec-2-ylmethanol?

1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracosane;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol;1,4,10,13-tetraoxa-7-azacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxacyclododec-2-ylmethanol has a molecular weight of 2388.96 g/mol, XLogP of -2.97, 5 rotatable bonds, 9 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracosane;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine;1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine;1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol;1,4,10,13-tetraoxa-7-azacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxacyclododec-2-ylmethanol is sourced from PubChem (CID 161238811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).