2-[13-(2-aminoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]ethanamine

C14H32N4O3 — CID 86006351

IUPAC2-[13-(2-aminoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]ethanamine
SMILESNCCN1CCOCCOCCN(CCN)CCOCC1
InChIInChI=1S/C14H32N4O3/c15-1-3-17-5-9-19-10-6-18(4-2-16)8-12-21-14-13-20-11-7-17/h1-16H2
InChIKeyLDWUZEUGZYITBJ-UHFFFAOYSA-N
MW304.44 g/mol
LogP-1.43
Rot. Bonds4

About 2-[13-(2-aminoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]ethanamine

2-[13-(2-aminoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]ethanamine (PubChem CID 86006351) has the molecular formula C14H32N4O3 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[13-(2-aminoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]ethanamine.

Molecular Properties

Compound Name2-[13-(2-aminoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]ethanamine
PubChem CID86006351
Molecular FormulaC14H32N4O3
Molecular Weight304.44 g/mol
Exact Mass304.25
IUPAC Name2-[13-(2-aminoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]ethanamine
SMILESNCCN1CCOCCOCCN(CCN)CCOCC1
InChIInChI=1S/C14H32N4O3/c15-1-3-17-5-9-19-10-6-18(4-2-16)8-12-21-14-13-20-11-7-17/h1-16H2
InChIKeyLDWUZEUGZYITBJ-UHFFFAOYSA-N
XLogP-1.43
TPSA86.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[13-(2-aminoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]ethanamine?
The IUPAC name of 2-[13-(2-aminoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]ethanamine (CID 86006351) is 2-[13-(2-aminoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]ethanamine.
What is the SMILES notation for 2-[13-(2-aminoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]ethanamine?
The canonical SMILES for 2-[13-(2-aminoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]ethanamine is NCCN1CCOCCOCCN(CCN)CCOCC1.
What is the InChIKey of 2-[13-(2-aminoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]ethanamine?
The InChIKey is LDWUZEUGZYITBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O3/c15-1-3-17-5-9-19-10-6-18(4-2-16)8-12-21-14-13-20-11-7-17/h1-16H2.
What are the key properties of 2-[13-(2-aminoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]ethanamine?
2-[13-(2-aminoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]ethanamine has a molecular weight of 304.44 g/mol, XLogP of -1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[13-(2-aminoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]ethanamine is sourced from PubChem (CID 86006351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).