2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-N,N-dimethylpropan-1-amine;2,3-bis[(4Z,7Z,10Z,13Z)-icosa-4,7,10,13-tetraenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-amine;methane

C143H263N3O6 — CID 161268850

IUPAC2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-N,N-dimethylpropan-1-amine;2,3-bis[(4Z,7Z,10Z,13Z)-icosa-4,7,10,13-tetraenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-amine;methane
SMILESC.C.C.C.CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(CN(C)C)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCOCC(CN(C)C)OCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC.CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCOCC(CN(C)C)OCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC
InChIInChI=1S/C49H77NO2.C45H93NO2.C45H77NO2.4CH4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-51-48-49(47-50(3)4)52-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-37(2)19-13-21-39(5)23-15-25-41(7)27-17-29-43(9)31-33-47-36-45(35-46(11)12)48-34-32-44(10)30-18-28-42(8)26-16-24-40(6)22-14-20-38(3)4;1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47-44-45(43-46(3)4)48-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;;;;/h7-10,13-16,19-22,25-28,31-34,37-40,49H,5-6,11-12,17-18,23-24,29-30,35-36,41-48H2,1-4H3;37-45H,13-36H2,1-12H3;15-18,21-24,27-30,33-36,45H,5-14,19-20,25-26,31-32,37-44H2,1-4H3;4*1H4/b9-7-,10-8-,15-13-,16-14-,21-19-,22-20-,27-25-,28-26-,33-31-,34-32-,39-37-,40-38-;;17-15-,18-16-,23-21-,24-22-,29-27-,30-28-,35-33-,36-34-;;;;
InChIKeyVDNVDFINBDEJBL-PBUNFUAKSA-N
MW2120.69 g/mol
LogP43.57
Rot. Bonds105

About 2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-N,N-dimethylpropan-1-amine;2,3-bis[(4Z,7Z,10Z,13Z)-icosa-4,7,10,13-tetraenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-amine;methane

2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-N,N-dimethylpropan-1-amine;2,3-bis[(4Z,7Z,10Z,13Z)-icosa-4,7,10,13-tetraenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-amine;methane (PubChem CID 161268850) has the molecular formula C143H263N3O6 and a molecular weight of 2120.69 g/mol. Its IUPAC name is 2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-N,N-dimethylpropan-1-amine;2,3-bis[(4Z,7Z,10Z,13Z)-icosa-4,7,10,13-tetraenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-amine;methane.

Molecular Properties

Compound Name2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-N,N-dimethylpropan-1-amine;2,3-bis[(4Z,7Z,10Z,13Z)-icosa-4,7,10,13-tetraenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-amine;methane
PubChem CID161268850
Molecular FormulaC143H263N3O6
Molecular Weight2120.69 g/mol
Exact Mass2119.04
IUPAC Name2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-N,N-dimethylpropan-1-amine;2,3-bis[(4Z,7Z,10Z,13Z)-icosa-4,7,10,13-tetraenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-amine;methane
SMILESC.C.C.C.CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(CN(C)C)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCOCC(CN(C)C)OCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC.CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCOCC(CN(C)C)OCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC
InChIInChI=1S/C49H77NO2.C45H93NO2.C45H77NO2.4CH4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-51-48-49(47-50(3)4)52-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-37(2)19-13-21-39(5)23-15-25-41(7)27-17-29-43(9)31-33-47-36-45(35-46(11)12)48-34-32-44(10)30-18-28-42(8)26-16-24-40(6)22-14-20-38(3)4;1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47-44-45(43-46(3)4)48-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;;;;/h7-10,13-16,19-22,25-28,31-34,37-40,49H,5-6,11-12,17-18,23-24,29-30,35-36,41-48H2,1-4H3;37-45H,13-36H2,1-12H3;15-18,21-24,27-30,33-36,45H,5-14,19-20,25-26,31-32,37-44H2,1-4H3;4*1H4/b9-7-,10-8-,15-13-,16-14-,21-19-,22-20-,27-25-,28-26-,33-31-,34-32-,39-37-,40-38-;;17-15-,18-16-,23-21-,24-22-,29-27-,30-28-,35-33-,36-34-;;;;
InChIKeyVDNVDFINBDEJBL-PBUNFUAKSA-N
XLogP43.57
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds105
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002120.69
LogP ≤ 543.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-N,N-dimethylpropan-1-amine;2,3-bis[(4Z,7Z,10Z,13Z)-icosa-4,7,10,13-tetraenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-amine;methane with MolForge

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Related Compounds

N,N-dimethyl-2-[(Z)-nonadec-9-enoxy]-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propan-1-amine;N,N-dimethyl-3-[(9Z,12Z)-octadeca-9,12-dienoxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoxy]propan-1-amine;N,N-dimethyl-3-[(9Z,12Z)-octadeca-9,12-dienoxy]-2-octadecoxypropan-1-amine;N,N-dimethyl-3-[(9Z,12Z)-octadeca-9,12-dienoxy]-2-(3,7,11,15-tetramethylhexadecoxy)propan-1-amine;2-[(Z)-hex-3-enoxy]-N,N-dimethyl-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propan-1-amine;2-hexoxy-N,N-dimethyl-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propan-1-amine
CID 161315066
2,3-bis(icosa-4,7,10,13-tetraenoxy)-N,N-dimethylpropan-1-amine
CID 76702087
N,N-dimethyl-2,3-bis[(9E,12E)-octadeca-9,12-dienoxy]propan-1-amine
CID 71611856
3-heptadeca-9,12-dienoxy-2-hexoxy-N,N-dimethylpropan-1-amine
CID 123603884
(2R)-N,N-dimethyl-2,3-bis[(Z)-octadec-9-enoxy]propan-1-amine
CID 97102276
3,4-bis[(9Z,12Z)-hexadeca-9,12-dienoxy]-N,N-dimethylbutan-1-amine
CID 164815643
5-[2-(heptadeca-8,11-dienoxymethyl)-3-octadeca-9,12-dienoxypropoxy]-N,N-dimethyl-4-octadeca-9,12-dienoxypentan-1-amine
CID 123895154
1-(dimethylamino)-4-octadeca-9,12-dienoxybutan-2-ol
CID 76763333
N,N-dimethyl-5,6-bis(octadec-9-enoxy)hexan-1-amine
CID 54340394
(E)-10,15-dimethyltricos-3-ene
CID 173194599
N,N-dimethyl-2-octadeca-9,12-dienoxy-3-trityloxypropan-1-amine
CID 76749824
(2R)-2-[(Z)-dodec-8-enoxy]-N,N-dimethyl-2-[(9Z,12Z)-octadeca-9,12-dienoxy]ethanamine
CID 87343629

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-N,N-dimethylpropan-1-amine;2,3-bis[(4Z,7Z,10Z,13Z)-icosa-4,7,10,13-tetraenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-amine;methane?
The IUPAC name of 2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-N,N-dimethylpropan-1-amine;2,3-bis[(4Z,7Z,10Z,13Z)-icosa-4,7,10,13-tetraenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-amine;methane (CID 161268850) is 2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-N,N-dimethylpropan-1-amine;2,3-bis[(4Z,7Z,10Z,13Z)-icosa-4,7,10,13-tetraenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-amine;methane.
What is the SMILES notation for 2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-N,N-dimethylpropan-1-amine;2,3-bis[(4Z,7Z,10Z,13Z)-icosa-4,7,10,13-tetraenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-amine;methane?
The canonical SMILES for 2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-N,N-dimethylpropan-1-amine;2,3-bis[(4Z,7Z,10Z,13Z)-icosa-4,7,10,13-tetraenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-amine;methane is C.C.C.C.CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(CN(C)C)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCOCC(CN(C)C)OCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC.CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCOCC(CN(C)C)OCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC.
What is the InChIKey of 2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-N,N-dimethylpropan-1-amine;2,3-bis[(4Z,7Z,10Z,13Z)-icosa-4,7,10,13-tetraenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-amine;methane?
The InChIKey is VDNVDFINBDEJBL-PBUNFUAKSA-N. The full InChI is InChI=1S/C49H77NO2.C45H93NO2.C45H77NO2.4CH4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-51-48-49(47-50(3)4)52-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-37(2)19-13-21-39(5)23-15-25-41(7)27-17-29-43(9)31-33-47-36-45(35-46(11)12)48-34-32-44(10)30-18-28-42(8)26-16-24-40(6)22-14-20-38(3)4;1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47-44-45(43-46(3)4)48-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;;;;/h7-10,13-16,19-22,25-28,31-34,37-40,49H,5-6,11-12,17-18,23-24,29-30,35-36,41-48H2,1-4H3;37-45H,13-36H2,1-12H3;15-18,21-24,27-30,33-36,45H,5-14,19-20,25-26,31-32,37-44H2,1-4H3;4*1H4/b9-7-,10-8-,15-13-,16-14-,21-19-,22-20-,27-25-,28-26-,33-31-,34-32-,39-37-,40-38-;;17-15-,18-16-,23-21-,24-22-,29-27-,30-28-,35-33-,36-34-;;;;.
What are the key properties of 2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-N,N-dimethylpropan-1-amine;2,3-bis[(4Z,7Z,10Z,13Z)-icosa-4,7,10,13-tetraenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-amine;methane?
2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-N,N-dimethylpropan-1-amine;2,3-bis[(4Z,7Z,10Z,13Z)-icosa-4,7,10,13-tetraenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-amine;methane has a molecular weight of 2120.69 g/mol, XLogP of 43.57, 105 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-N,N-dimethylpropan-1-amine;2,3-bis[(4Z,7Z,10Z,13Z)-icosa-4,7,10,13-tetraenoxy]-N,N-dimethylpropan-1-amine;N,N-dimethyl-2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-amine;methane is sourced from PubChem (CID 161268850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).