1,4-dioxa-7,10,13-triazacyclopentadecane

C10H23N3O2 — CID 5155370

IUPAC1,4-dioxa-7,10,13-triazacyclopentadecane
SMILESC1CNCCOCCOCCNCCN1
InChIInChI=1S/C10H23N3O2/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11-13H,1-10H2
InChIKeyJZBKDLJISWWDTN-UHFFFAOYSA-N
MW217.31 g/mol
LogP-1.20
Rot. Bonds

About 1,4-dioxa-7,10,13-triazacyclopentadecane

1,4-dioxa-7,10,13-triazacyclopentadecane (PubChem CID 5155370) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1,4-dioxa-7,10,13-triazacyclopentadecane.

Molecular Properties

Compound Name1,4-dioxa-7,10,13-triazacyclopentadecane
PubChem CID5155370
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name1,4-dioxa-7,10,13-triazacyclopentadecane
SMILESC1CNCCOCCOCCNCCN1
InChIInChI=1S/C10H23N3O2/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11-13H,1-10H2
InChIKeyJZBKDLJISWWDTN-UHFFFAOYSA-N
XLogP-1.20
TPSA54.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-7,10,13-triazacyclopentadecane?
The IUPAC name of 1,4-dioxa-7,10,13-triazacyclopentadecane (CID 5155370) is 1,4-dioxa-7,10,13-triazacyclopentadecane.
What is the SMILES notation for 1,4-dioxa-7,10,13-triazacyclopentadecane?
The canonical SMILES for 1,4-dioxa-7,10,13-triazacyclopentadecane is C1CNCCOCCOCCNCCN1.
What is the InChIKey of 1,4-dioxa-7,10,13-triazacyclopentadecane?
The InChIKey is JZBKDLJISWWDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11-13H,1-10H2.
What are the key properties of 1,4-dioxa-7,10,13-triazacyclopentadecane?
1,4-dioxa-7,10,13-triazacyclopentadecane has a molecular weight of 217.31 g/mol, XLogP of -1.20, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-7,10,13-triazacyclopentadecane is sourced from PubChem (CID 5155370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).