1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine

C11H23NO5 — CID 5204231

IUPAC1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine
SMILESNCC1COCCOCCOCCOCCO1
InChIInChI=1S/C11H23NO5/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11H,1-10,12H2
InChIKeyAGNCFNQAIMILOU-UHFFFAOYSA-N
MW249.31 g/mol
LogP-0.59
Rot. Bonds1

About 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine

1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine (PubChem CID 5204231) has the molecular formula C11H23NO5 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine.

Molecular Properties

Compound Name1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine
PubChem CID5204231
Molecular FormulaC11H23NO5
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Name1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine
SMILESNCC1COCCOCCOCCOCCO1
InChIInChI=1S/C11H23NO5/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11H,1-10,12H2
InChIKeyAGNCFNQAIMILOU-UHFFFAOYSA-N
XLogP-0.59
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine?
The IUPAC name of 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine (CID 5204231) is 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine.
What is the SMILES notation for 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine?
The canonical SMILES for 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine is NCC1COCCOCCOCCOCCO1.
What is the InChIKey of 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine?
The InChIKey is AGNCFNQAIMILOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11H,1-10,12H2.
What are the key properties of 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine?
1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine has a molecular weight of 249.31 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine is sourced from PubChem (CID 5204231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).