1,2,3,4,5,6,7,8,9,10-decazacyclooctacosane

C18H46N10 — CID 68505911

IUPAC1,2,3,4,5,6,7,8,9,10-decazacyclooctacosane
SMILESC1CCCCCCCCCNNNNNNNNNNCCCCCCCC1
InChIInChI=1S/C18H46N10/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h19-28H,1-18H2
InChIKeyACFUTGJEVZOXLW-UHFFFAOYSA-N
MW402.64 g/mol
LogP1.37
Rot. Bonds

About 1,2,3,4,5,6,7,8,9,10-decazacyclooctacosane

1,2,3,4,5,6,7,8,9,10-decazacyclooctacosane (PubChem CID 68505911) has the molecular formula C18H46N10 and a molecular weight of 402.64 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,9,10-decazacyclooctacosane.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8,9,10-decazacyclooctacosane
PubChem CID68505911
Molecular FormulaC18H46N10
Molecular Weight402.64 g/mol
Exact Mass402.39
IUPAC Name1,2,3,4,5,6,7,8,9,10-decazacyclooctacosane
SMILESC1CCCCCCCCCNNNNNNNNNNCCCCCCCC1
InChIInChI=1S/C18H46N10/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h19-28H,1-18H2
InChIKeyACFUTGJEVZOXLW-UHFFFAOYSA-N
XLogP1.37
TPSA120.30 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.64
LogP ≤ 51.37
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8,9,10-decazacyclooctacosane?
The IUPAC name of 1,2,3,4,5,6,7,8,9,10-decazacyclooctacosane (CID 68505911) is 1,2,3,4,5,6,7,8,9,10-decazacyclooctacosane.
What is the SMILES notation for 1,2,3,4,5,6,7,8,9,10-decazacyclooctacosane?
The canonical SMILES for 1,2,3,4,5,6,7,8,9,10-decazacyclooctacosane is C1CCCCCCCCCNNNNNNNNNNCCCCCCCC1.
What is the InChIKey of 1,2,3,4,5,6,7,8,9,10-decazacyclooctacosane?
The InChIKey is ACFUTGJEVZOXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H46N10/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h19-28H,1-18H2.
What are the key properties of 1,2,3,4,5,6,7,8,9,10-decazacyclooctacosane?
1,2,3,4,5,6,7,8,9,10-decazacyclooctacosane has a molecular weight of 402.64 g/mol, XLogP of 1.37, 0 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8,9,10-decazacyclooctacosane is sourced from PubChem (CID 68505911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).