2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine

C24H52N4O8 — CID 11060427

IUPAC2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCN1CCOCCOCCN(CCOCCOCCN)CCOCCOCC1
InChIInChI=1S/C24H52N4O8/c25-1-9-29-17-19-31-11-3-27-5-13-33-21-23-35-15-7-28(4-12-32-20-18-30-10-2-26)8-16-36-24-22-34-14-6-27/h1-26H2
InChIKeyBCRDDKMYRYMBAH-UHFFFAOYSA-N
MW524.70 g/mol
LogP-1.35
Rot. Bonds16

About 2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine

2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine (PubChem CID 11060427) has the molecular formula C24H52N4O8 and a molecular weight of 524.70 g/mol. Its IUPAC name is 2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine
PubChem CID11060427
Molecular FormulaC24H52N4O8
Molecular Weight524.70 g/mol
Exact Mass524.38
IUPAC Name2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCN1CCOCCOCCN(CCOCCOCCN)CCOCCOCC1
InChIInChI=1S/C24H52N4O8/c25-1-9-29-17-19-31-11-3-27-5-13-33-21-23-35-15-7-28(4-12-32-20-18-30-10-2-26)8-16-36-24-22-34-14-6-27/h1-26H2
InChIKeyBCRDDKMYRYMBAH-UHFFFAOYSA-N
XLogP-1.35
TPSA132.36 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.70
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine with MolForge

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Related Compounds

13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 14910697
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424
ethane;4-(2-propoxyethyl)morpholine
CID 154661305
2-methyl-1-(2-morpholin-4-ylethoxy)propan-2-amine
CID 64537619
4-(2-ethoxyethyl)morpholine;hydrobromide
CID 173067075
2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate
CID 147517503
7-morpholin-4-ylheptan-1-amine
CID 28596900
7-(2-morpholin-4-ylethoxy)heptan-1-ol
CID 123873926
4-(2-hexoxyethyl)morpholine
CID 3326674
hydrazine;5-morpholin-4-ylpentan-1-amine
CID 160561706
6-(2-morpholin-4-ylethoxy)hexanamide
CID 67176571
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine (CID 11060427) is 2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine is NCCOCCOCCN1CCOCCOCCN(CCOCCOCCN)CCOCCOCC1.
What is the InChIKey of 2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine?
The InChIKey is BCRDDKMYRYMBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N4O8/c25-1-9-29-17-19-31-11-3-27-5-13-33-21-23-35-15-7-28(4-12-32-20-18-30-10-2-26)8-16-36-24-22-34-14-6-27/h1-26H2.
What are the key properties of 2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine?
2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine has a molecular weight of 524.70 g/mol, XLogP of -1.35, 16 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 11060427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).