1,7-diazacyclopentadecane-4,10,13-triol

C13H28N2O3 — CID 174313060

IUPAC1,7-diazacyclopentadecane-4,10,13-triol
SMILESOC1CCNCCC(O)CCC(O)CCNCC1
InChIInChI=1S/C13H28N2O3/c16-11-1-2-12(17)4-8-15-10-6-13(18)5-9-14-7-3-11/h11-18H,1-10H2
InChIKeyHXFYNECCOZMFPT-UHFFFAOYSA-N
MW260.38 g/mol
LogP-0.40
Rot. Bonds

About 1,7-diazacyclopentadecane-4,10,13-triol

1,7-diazacyclopentadecane-4,10,13-triol (PubChem CID 174313060) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1,7-diazacyclopentadecane-4,10,13-triol.

Molecular Properties

Compound Name1,7-diazacyclopentadecane-4,10,13-triol
PubChem CID174313060
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name1,7-diazacyclopentadecane-4,10,13-triol
SMILESOC1CCNCCC(O)CCC(O)CCNCC1
InChIInChI=1S/C13H28N2O3/c16-11-1-2-12(17)4-8-15-10-6-13(18)5-9-14-7-3-11/h11-18H,1-10H2
InChIKeyHXFYNECCOZMFPT-UHFFFAOYSA-N
XLogP-0.40
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 5-0.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,7-diazacyclopentadecane-4,10,13-triol?
The IUPAC name of 1,7-diazacyclopentadecane-4,10,13-triol (CID 174313060) is 1,7-diazacyclopentadecane-4,10,13-triol.
What is the SMILES notation for 1,7-diazacyclopentadecane-4,10,13-triol?
The canonical SMILES for 1,7-diazacyclopentadecane-4,10,13-triol is OC1CCNCCC(O)CCC(O)CCNCC1.
What is the InChIKey of 1,7-diazacyclopentadecane-4,10,13-triol?
The InChIKey is HXFYNECCOZMFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c16-11-1-2-12(17)4-8-15-10-6-13(18)5-9-14-7-3-11/h11-18H,1-10H2.
What are the key properties of 1,7-diazacyclopentadecane-4,10,13-triol?
1,7-diazacyclopentadecane-4,10,13-triol has a molecular weight of 260.38 g/mol, XLogP of -0.40, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazacyclopentadecane-4,10,13-triol is sourced from PubChem (CID 174313060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).