methyl 3-[3-aminopropyl(propan-2-yl)amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propyl]amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate;methyl 3-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propylamino]propanoate;methyl 9-methyldecanoate

C69H137N7O18 — CID 159622506

About methyl 3-[3-aminopropyl(propan-2-yl)amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propyl]amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate;methyl 3-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propylamino]propanoate;methyl 9-methyldecanoate

methyl 3-[3-aminopropyl(propan-2-yl)amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propyl]amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate;methyl 3-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propylamino]propanoate;methyl 9-methyldecanoate (PubChem CID 159622506) has the molecular formula C69H137N7O18 and a molecular weight of 1352.89 g/mol. Its IUPAC name is methyl 3-[3-aminopropyl(propan-2-yl)amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propyl]amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate;methyl 3-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propylamino]propanoate;methyl 9-methyldecanoate.

Molecular Properties

• Compound Name: methyl 3-[3-aminopropyl(propan-2-yl)amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propyl]amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate;methyl 3-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propylamino]propanoate;methyl 9-methyldecanoate
• PubChem CID: 159622506
• Molecular Formula: C69H137N7O18
• Molecular Weight: 1352.89 g/mol
• Exact Mass: 1352.00
• IUPAC Name: methyl 3-[3-aminopropyl(propan-2-yl)amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propyl]amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate;methyl 3-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propylamino]propanoate;methyl 9-methyldecanoate
• SMILES: COC(=O)CCCCCCCC(C)C.COC(=O)CCN(CCCCC(C)C)CCC(=O)OC.COC(=O)CCN(CCCN(CCC(=O)OC)C(C)C)CCC(=O)OC.COC(=O)CCN(CCCN)C(C)C.COC(=O)CCNCCCN(CCC(=O)OC)C(C)C
• InChI: InChI=1S/C18H34N2O6.C15H29NO4.C14H28N2O4.C12H24O2.C10H22N2O2/c1-15(2)20(14-9-18(23)26-5)11-6-10-19(12-7-16(21)24-3)13-8-17(22)25-4;1-13(2)7-5-6-10-16(11-8-14(17)19-3)12-9-15(18)20-4;1-12(2)16(11-7-14(18)20-4)10-5-8-15-9-6-13(17)19-3;1-11(2)9-7-5-4-6-8-10-12(13)14-3;1-9(2)12(7-4-6-11)8-5-10(13)14-3/h15H,6-14H2,1-5H3;13H,5-12H2,1-4H3;12,15H,5-11H2,1-4H3;11H,4-10H2,1-3H3;9H,4-8,11H2,1-3H3
• InChIKey: MOBJILYSUMRIDW-UHFFFAOYSA-N
• XLogP: 8.28
• TPSA: 290.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 51
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1352.89
LogP ≤ 5	8.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

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 methyl 3-[3-aminopropyl(propan-2-yl)amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propyl]amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate;methyl 3-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propylamino]propanoate;methyl 9-methyldecanoate?

The IUPAC name of methyl 3-[3-aminopropyl(propan-2-yl)amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propyl]amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate;methyl 3-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propylamino]propanoate;methyl 9-methyldecanoate (CID 159622506) is methyl 3-[3-aminopropyl(propan-2-yl)amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propyl]amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate;methyl 3-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propylamino]propanoate;methyl 9-methyldecanoate.

What is the SMILES notation for methyl 3-[3-aminopropyl(propan-2-yl)amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propyl]amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate;methyl 3-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propylamino]propanoate;methyl 9-methyldecanoate?

The canonical SMILES for methyl 3-[3-aminopropyl(propan-2-yl)amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propyl]amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate;methyl 3-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propylamino]propanoate;methyl 9-methyldecanoate is COC(=O)CCCCCCCC(C)C.COC(=O)CCN(CCCCC(C)C)CCC(=O)OC.COC(=O)CCN(CCCN(CCC(=O)OC)C(C)C)CCC(=O)OC.COC(=O)CCN(CCCN)C(C)C.COC(=O)CCNCCCN(CCC(=O)OC)C(C)C.

What is the InChIKey of methyl 3-[3-aminopropyl(propan-2-yl)amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propyl]amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate;methyl 3-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propylamino]propanoate;methyl 9-methyldecanoate?

The InChIKey is MOBJILYSUMRIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O6.C15H29NO4.C14H28N2O4.C12H24O2.C10H22N2O2/c1-15(2)20(14-9-18(23)26-5)11-6-10-19(12-7-16(21)24-3)13-8-17(22)25-4;1-13(2)7-5-6-10-16(11-8-14(17)19-3)12-9-15(18)20-4;1-12(2)16(11-7-14(18)20-4)10-5-8-15-9-6-13(17)19-3;1-11(2)9-7-5-4-6-8-10-12(13)14-3;1-9(2)12(7-4-6-11)8-5-10(13)14-3/h15H,6-14H2,1-5H3;13H,5-12H2,1-4H3;12,15H,5-11H2,1-4H3;11H,4-10H2,1-3H3;9H,4-8,11H2,1-3H3.

What are the key properties of methyl 3-[3-aminopropyl(propan-2-yl)amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propyl]amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate;methyl 3-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propylamino]propanoate;methyl 9-methyldecanoate?

methyl 3-[3-aminopropyl(propan-2-yl)amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propyl]amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate;methyl 3-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propylamino]propanoate;methyl 9-methyldecanoate has a molecular weight of 1352.89 g/mol, XLogP of 8.28, 51 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[3-aminopropyl(propan-2-yl)amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propyl]amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate;methyl 3-[3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propylamino]propanoate;methyl 9-methyldecanoate is sourced from PubChem (CID 159622506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).