1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tetradecan-2-ol;1-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol;1-[3-[methyl-[2-(methylamino)ethyl]amino]propylamino]tetradecan-2-ol

C85H189N11O8 — CID 161191113

IUPAC1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tetradecan-2-ol;1-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol;1-[3-[methyl-[2-(methylamino)ethyl]amino]propylamino]tetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)CNCCCN(C)CCNC.CCCCCCCCCCCCC(O)CNCCNCCNCCNC.CCCCCCCCCCCCC(O)CNCCOCCOCCNC.CCCCCCCCCCCCCCC(O)CNCCOCCOCCN
InChIInChI=1S/C22H48N2O3.C21H48N4O.C21H47N3O.C21H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22(25)21-24-16-18-27-20-19-26-17-15-23;1-3-4-5-6-7-8-9-10-11-12-13-21(26)20-25-19-18-24-17-16-23-15-14-22-2;1-4-5-6-7-8-9-10-11-12-13-15-21(25)20-23-16-14-18-24(3)19-17-22-2;1-3-4-5-6-7-8-9-10-11-12-13-21(24)20-23-15-17-26-19-18-25-16-14-22-2/h22,24-25H,2-21,23H2,1H3;21-26H,3-20H2,1-2H3;21-23,25H,4-20H2,1-3H3;21-24H,3-20H2,1-2H3
InChIKeyUTSSOGOZLAVISQ-UHFFFAOYSA-N
MW1493.52 g/mol
LogP13.96
Rot. Bonds87

About 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tetradecan-2-ol;1-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol;1-[3-[methyl-[2-(methylamino)ethyl]amino]propylamino]tetradecan-2-ol

1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tetradecan-2-ol;1-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol;1-[3-[methyl-[2-(methylamino)ethyl]amino]propylamino]tetradecan-2-ol (PubChem CID 161191113) has the molecular formula C85H189N11O8 and a molecular weight of 1493.52 g/mol. Its IUPAC name is 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tetradecan-2-ol;1-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol;1-[3-[methyl-[2-(methylamino)ethyl]amino]propylamino]tetradecan-2-ol.

Molecular Properties

Compound Name1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tetradecan-2-ol;1-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol;1-[3-[methyl-[2-(methylamino)ethyl]amino]propylamino]tetradecan-2-ol
PubChem CID161191113
Molecular FormulaC85H189N11O8
Molecular Weight1493.52 g/mol
Exact Mass1492.47
IUPAC Name1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tetradecan-2-ol;1-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol;1-[3-[methyl-[2-(methylamino)ethyl]amino]propylamino]tetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)CNCCCN(C)CCNC.CCCCCCCCCCCCC(O)CNCCNCCNCCNC.CCCCCCCCCCCCC(O)CNCCOCCOCCNC.CCCCCCCCCCCCCCC(O)CNCCOCCOCCN
InChIInChI=1S/C22H48N2O3.C21H48N4O.C21H47N3O.C21H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22(25)21-24-16-18-27-20-19-26-17-15-23;1-3-4-5-6-7-8-9-10-11-12-13-21(26)20-25-19-18-24-17-16-23-15-14-22-2;1-4-5-6-7-8-9-10-11-12-13-15-21(25)20-23-16-14-18-24(3)19-17-22-2;1-3-4-5-6-7-8-9-10-11-12-13-21(24)20-23-15-17-26-19-18-25-16-14-22-2/h22,24-25H,2-21,23H2,1H3;21-26H,3-20H2,1-2H3;21-23,25H,4-20H2,1-3H3;21-24H,3-20H2,1-2H3
InChIKeyUTSSOGOZLAVISQ-UHFFFAOYSA-N
XLogP13.96
TPSA255.37 Ų
H-Bond Donors14
H-Bond Acceptors19
Rotatable Bonds87
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001493.52
LogP ≤ 513.96
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tetradecan-2-ol;1-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol;1-[3-[methyl-[2-(methylamino)ethyl]amino]propylamino]tetradecan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tetradecan-2-ol;1-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol;1-[3-[methyl-[2-(methylamino)ethyl]amino]propylamino]tetradecan-2-ol?
The IUPAC name of 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tetradecan-2-ol;1-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol;1-[3-[methyl-[2-(methylamino)ethyl]amino]propylamino]tetradecan-2-ol (CID 161191113) is 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tetradecan-2-ol;1-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol;1-[3-[methyl-[2-(methylamino)ethyl]amino]propylamino]tetradecan-2-ol.
What is the SMILES notation for 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tetradecan-2-ol;1-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol;1-[3-[methyl-[2-(methylamino)ethyl]amino]propylamino]tetradecan-2-ol?
The canonical SMILES for 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tetradecan-2-ol;1-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol;1-[3-[methyl-[2-(methylamino)ethyl]amino]propylamino]tetradecan-2-ol is CCCCCCCCCCCCC(O)CNCCCN(C)CCNC.CCCCCCCCCCCCC(O)CNCCNCCNCCNC.CCCCCCCCCCCCC(O)CNCCOCCOCCNC.CCCCCCCCCCCCCCC(O)CNCCOCCOCCN.
What is the InChIKey of 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tetradecan-2-ol;1-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol;1-[3-[methyl-[2-(methylamino)ethyl]amino]propylamino]tetradecan-2-ol?
The InChIKey is UTSSOGOZLAVISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2O3.C21H48N4O.C21H47N3O.C21H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22(25)21-24-16-18-27-20-19-26-17-15-23;1-3-4-5-6-7-8-9-10-11-12-13-21(26)20-25-19-18-24-17-16-23-15-14-22-2;1-4-5-6-7-8-9-10-11-12-13-15-21(25)20-23-16-14-18-24(3)19-17-22-2;1-3-4-5-6-7-8-9-10-11-12-13-21(24)20-23-15-17-26-19-18-25-16-14-22-2/h22,24-25H,2-21,23H2,1H3;21-26H,3-20H2,1-2H3;21-23,25H,4-20H2,1-3H3;21-24H,3-20H2,1-2H3.
What are the key properties of 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tetradecan-2-ol;1-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol;1-[3-[methyl-[2-(methylamino)ethyl]amino]propylamino]tetradecan-2-ol?
1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tetradecan-2-ol;1-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol;1-[3-[methyl-[2-(methylamino)ethyl]amino]propylamino]tetradecan-2-ol has a molecular weight of 1493.52 g/mol, XLogP of 13.96, 87 rotatable bonds, 14 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]tetradecan-2-ol;1-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol;1-[3-[methyl-[2-(methylamino)ethyl]amino]propylamino]tetradecan-2-ol is sourced from PubChem (CID 161191113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).