methane;methyl 3-[2-aminoethyl(propyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-methylamino]propanoate;tetradecyl 3-[2-(methylamino)ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 6-(methylamino)hexanoate;tetradecyl 6-[methyl-(3-oxo-3-tetradecoxypropyl)amino]hexanoate

C160H322N8O18 — CID 158814150

About methane;methyl 3-[2-aminoethyl(propyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-methylamino]propanoate;tetradecyl 3-[2-(methylamino)ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 6-(methylamino)hexanoate;tetradecyl 6-[methyl-(3-oxo-3-tetradecoxypropyl)amino]hexanoate

methane;methyl 3-[2-aminoethyl(propyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-methylamino]propanoate;tetradecyl 3-[2-(methylamino)ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 6-(methylamino)hexanoate;tetradecyl 6-[methyl-(3-oxo-3-tetradecoxypropyl)amino]hexanoate (PubChem CID 158814150) has the molecular formula C160H322N8O18 and a molecular weight of 2646.37 g/mol. Its IUPAC name is methane;methyl 3-[2-aminoethyl(propyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-methylamino]propanoate;tetradecyl 3-[2-(methylamino)ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 6-(methylamino)hexanoate;tetradecyl 6-[methyl-(3-oxo-3-tetradecoxypropyl)amino]hexanoate.

Molecular Properties

• Compound Name: methane;methyl 3-[2-aminoethyl(propyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-methylamino]propanoate;tetradecyl 3-[2-(methylamino)ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 6-(methylamino)hexanoate;tetradecyl 6-[methyl-(3-oxo-3-tetradecoxypropyl)amino]hexanoate
• PubChem CID: 158814150
• Molecular Formula: C160H322N8O18
• Molecular Weight: 2646.37 g/mol
• Exact Mass: 2644.45
• IUPAC Name: methane;methyl 3-[2-aminoethyl(propyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-methylamino]propanoate;tetradecyl 3-[2-(methylamino)ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 6-(methylamino)hexanoate;tetradecyl 6-[methyl-(3-oxo-3-tetradecoxypropyl)amino]hexanoate
• SMILES: C.CCCCCCCCCCCCCCOC(=O)CCCCCN(C)CCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCCCCNC.CCCCCCCCCCCCCCOC(=O)CCN(C)CCN(CCC(=O)OCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCN(CCNC)CCC(=O)OCCCCCCCCCCCCCC.CCCN(CCN)CCC(=O)OC
• InChI: InChI=1S/C54H106N2O6.C38H75NO4.C37H74N2O4.C21H43NO2.C9H20N2O2.CH4/c1-5-8-11-14-17-20-23-26-29-32-35-38-49-60-52(57)41-44-55(4)47-48-56(45-42-53(58)61-50-39-36-33-30-27-24-21-18-15-12-9-6-2)46-43-54(59)62-51-40-37-34-31-28-25-22-19-16-13-10-7-3;1-4-6-8-10-12-14-16-18-20-22-24-29-35-42-37(40)31-27-26-28-33-39(3)34-32-38(41)43-36-30-25-23-21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-16-18-20-22-24-26-34-42-36(40)28-31-39(33-30-38-3)32-29-37(41)43-35-27-25-23-21-19-17-15-13-11-9-7-5-2;1-3-4-5-6-7-8-9-10-11-12-13-17-20-24-21(23)18-15-14-16-19-22-2;1-3-6-11(8-5-10)7-4-9(12)13-2;/h5-51H2,1-4H3;4-36H2,1-3H3;38H,4-35H2,1-3H3;22H,3-20H2,1-2H3;3-8,10H2,1-2H3;1H4
• InChIKey: IVBCPFLHMGEPKQ-UHFFFAOYSA-N
• XLogP: 43.12
• TPSA: 302.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 147
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2646.37
LogP ≤ 5	43.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;methyl 3-[2-aminoethyl(propyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-methylamino]propanoate;tetradecyl 3-[2-(methylamino)ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 6-(methylamino)hexanoate;tetradecyl 6-[methyl-(3-oxo-3-tetradecoxypropyl)amino]hexanoate?

The IUPAC name of methane;methyl 3-[2-aminoethyl(propyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-methylamino]propanoate;tetradecyl 3-[2-(methylamino)ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 6-(methylamino)hexanoate;tetradecyl 6-[methyl-(3-oxo-3-tetradecoxypropyl)amino]hexanoate (CID 158814150) is methane;methyl 3-[2-aminoethyl(propyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-methylamino]propanoate;tetradecyl 3-[2-(methylamino)ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 6-(methylamino)hexanoate;tetradecyl 6-[methyl-(3-oxo-3-tetradecoxypropyl)amino]hexanoate.

What is the SMILES notation for methane;methyl 3-[2-aminoethyl(propyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-methylamino]propanoate;tetradecyl 3-[2-(methylamino)ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 6-(methylamino)hexanoate;tetradecyl 6-[methyl-(3-oxo-3-tetradecoxypropyl)amino]hexanoate?

The canonical SMILES for methane;methyl 3-[2-aminoethyl(propyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-methylamino]propanoate;tetradecyl 3-[2-(methylamino)ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 6-(methylamino)hexanoate;tetradecyl 6-[methyl-(3-oxo-3-tetradecoxypropyl)amino]hexanoate is C.CCCCCCCCCCCCCCOC(=O)CCCCCN(C)CCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCCCCNC.CCCCCCCCCCCCCCOC(=O)CCN(C)CCN(CCC(=O)OCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCN(CCNC)CCC(=O)OCCCCCCCCCCCCCC.CCCN(CCN)CCC(=O)OC.

What is the InChIKey of methane;methyl 3-[2-aminoethyl(propyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-methylamino]propanoate;tetradecyl 3-[2-(methylamino)ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 6-(methylamino)hexanoate;tetradecyl 6-[methyl-(3-oxo-3-tetradecoxypropyl)amino]hexanoate?

The InChIKey is IVBCPFLHMGEPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H106N2O6.C38H75NO4.C37H74N2O4.C21H43NO2.C9H20N2O2.CH4/c1-5-8-11-14-17-20-23-26-29-32-35-38-49-60-52(57)41-44-55(4)47-48-56(45-42-53(58)61-50-39-36-33-30-27-24-21-18-15-12-9-6-2)46-43-54(59)62-51-40-37-34-31-28-25-22-19-16-13-10-7-3;1-4-6-8-10-12-14-16-18-20-22-24-29-35-42-37(40)31-27-26-28-33-39(3)34-32-38(41)43-36-30-25-23-21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-16-18-20-22-24-26-34-42-36(40)28-31-39(33-30-38-3)32-29-37(41)43-35-27-25-23-21-19-17-15-13-11-9-7-5-2;1-3-4-5-6-7-8-9-10-11-12-13-17-20-24-21(23)18-15-14-16-19-22-2;1-3-6-11(8-5-10)7-4-9(12)13-2;/h5-51H2,1-4H3;4-36H2,1-3H3;38H,4-35H2,1-3H3;22H,3-20H2,1-2H3;3-8,10H2,1-2H3;1H4.

What are the key properties of methane;methyl 3-[2-aminoethyl(propyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-methylamino]propanoate;tetradecyl 3-[2-(methylamino)ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 6-(methylamino)hexanoate;tetradecyl 6-[methyl-(3-oxo-3-tetradecoxypropyl)amino]hexanoate?

methane;methyl 3-[2-aminoethyl(propyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-methylamino]propanoate;tetradecyl 3-[2-(methylamino)ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 6-(methylamino)hexanoate;tetradecyl 6-[methyl-(3-oxo-3-tetradecoxypropyl)amino]hexanoate has a molecular weight of 2646.37 g/mol, XLogP of 43.12, 147 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for methane;methyl 3-[2-aminoethyl(propyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-methylamino]propanoate;tetradecyl 3-[2-(methylamino)ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 6-(methylamino)hexanoate;tetradecyl 6-[methyl-(3-oxo-3-tetradecoxypropyl)amino]hexanoate is sourced from PubChem (CID 158814150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).