1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-(2-prop-2-enylphenoxy)propan-2-ol

C22H38N2O6 — CID 155566405

IUPAC1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCN
InChIInChI=1S/C22H38N2O6/c1-2-5-20-6-3-4-7-22(20)30-19-21(25)18-24-9-11-27-13-15-29-17-16-28-14-12-26-10-8-23/h2-4,6-7,21,24-25H,1,5,8-19,23H2
InChIKeyJTICSMPQQVDYOJ-UHFFFAOYSA-N
MW426.55 g/mol
LogP0.77
Rot. Bonds21

About 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-(2-prop-2-enylphenoxy)propan-2-ol

1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-(2-prop-2-enylphenoxy)propan-2-ol (PubChem CID 155566405) has the molecular formula C22H38N2O6 and a molecular weight of 426.55 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-(2-prop-2-enylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-(2-prop-2-enylphenoxy)propan-2-ol
PubChem CID155566405
Molecular FormulaC22H38N2O6
Molecular Weight426.55 g/mol
Exact Mass426.27
IUPAC Name1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCN
InChIInChI=1S/C22H38N2O6/c1-2-5-20-6-3-4-7-22(20)30-19-21(25)18-24-9-11-27-13-15-29-17-16-28-14-12-26-10-8-23/h2-4,6-7,21,24-25H,1,5,8-19,23H2
InChIKeyJTICSMPQQVDYOJ-UHFFFAOYSA-N
XLogP0.77
TPSA104.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2-prop-2-enylphenoxy)ethanamine chloride
CID 21228786
[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethyl-propan-2-ylazanium
CID 6543364
1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-[3,4-bis(phenylmethoxy)phenoxy]propan-2-ol
CID 153397125
2,3-dihydroxybutanedioic acid;1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 66615141
2-[3-[[2-hydroxy-3-(2-prop-2-enoxyphenoxy)propyl]amino]propyl]guanidine
CID 110181612
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[2-(2-prop-2-enoxyethoxymethyl)phenoxy]propan-2-ol
CID 23471099
1-(2,3-diamino-4-methylphenoxy)-3-[2-(2-prop-2-enoxyphenoxy)ethylamino]propan-2-ol
CID 57138530
(2S)-1-[bis(2-hydroxyethyl)amino]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 2046985
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853
1-piperidin-1-ium-1-yl-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 4619097
2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine
CID 103074650
methyl 2-bromo-3-(2-prop-2-enylphenoxy)propanoate
CID 81092362

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-(2-prop-2-enylphenoxy)propan-2-ol?
The IUPAC name of 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-(2-prop-2-enylphenoxy)propan-2-ol (CID 155566405) is 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-(2-prop-2-enylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-(2-prop-2-enylphenoxy)propan-2-ol?
The canonical SMILES for 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-(2-prop-2-enylphenoxy)propan-2-ol is C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCN.
What is the InChIKey of 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-(2-prop-2-enylphenoxy)propan-2-ol?
The InChIKey is JTICSMPQQVDYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O6/c1-2-5-20-6-3-4-7-22(20)30-19-21(25)18-24-9-11-27-13-15-29-17-16-28-14-12-26-10-8-23/h2-4,6-7,21,24-25H,1,5,8-19,23H2.
What are the key properties of 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-(2-prop-2-enylphenoxy)propan-2-ol?
1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-(2-prop-2-enylphenoxy)propan-2-ol has a molecular weight of 426.55 g/mol, XLogP of 0.77, 21 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-(2-prop-2-enylphenoxy)propan-2-ol is sourced from PubChem (CID 155566405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).