1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-[2-hydroxybutyl-(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;methane

C170H374N20O12 — CID 162252393

About 1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-[2-hydroxybutyl-(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;methane

1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-[2-hydroxybutyl-(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;methane (PubChem CID 162252393) has the molecular formula C170H374N20O12 and a molecular weight of 2890.99 g/mol. Its IUPAC name is 1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-[2-hydroxybutyl-(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;methane.

Molecular Properties

• Compound Name: 1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-[2-hydroxybutyl-(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;methane
• PubChem CID: 162252393
• Molecular Formula: C170H374N20O12
• Molecular Weight: 2890.99 g/mol
• Exact Mass: 2888.93
• IUPAC Name: 1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-[2-hydroxybutyl-(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;methane
• SMILES: C.C.CCCCCCCCCCCCC(O)CN(CCN(CCN)CCN(CC(O)CC)CC(O)C(C)CCCCCCCCCC)CC(O)CCCCCCCCCCC.CCCCCCCCCCCCC(O)CN(CCN(CCN)CCNC)CC(O)C(C)CCCCCCCCCC.CCCCCCCCCCCCC(O)CN(CCN(CCN)CCNCC(O)CC)CC(O)CCCCCCCCCCC.CCCCCCCCCCCCC(O)CNCCN(CCN)CCNC.CCCCCCCCCCCCC(O)CNCCN(CCN)CCNCC(O)CC
• InChI: InChI=1S/C51H108N4O4.C37H80N4O3.C35H76N4O2.C24H54N4O2.C21H48N4O.2CH4/c1-6-10-13-16-19-22-24-27-30-33-36-50(58)45-54(44-49(57)35-32-29-26-23-20-17-14-11-7-2)41-39-53(38-37-52)40-42-55(43-48(56)9-4)46-51(59)47(5)34-31-28-25-21-18-15-12-8-3;1-4-7-9-11-13-15-17-19-21-23-25-37(44)34-41(31-30-40(28-26-38)29-27-39-32-35(42)6-3)33-36(43)24-22-20-18-16-14-12-10-8-5-2;1-5-7-9-11-13-15-16-18-20-22-24-34(40)31-39(30-29-38(27-25-36)28-26-37-4)32-35(41)33(3)23-21-19-17-14-12-10-8-6-2;1-3-5-6-7-8-9-10-11-12-13-14-24(30)22-27-17-20-28(18-15-25)19-16-26-21-23(29)4-2;1-3-4-5-6-7-8-9-10-11-12-13-21(26)20-24-16-19-25(17-14-22)18-15-23-2;;/h47-51,56-59H,6-46,52H2,1-5H3;35-37,39,42-44H,4-34,38H2,1-3H3;33-35,37,40-41H,5-32,36H2,1-4H3;23-24,26-27,29-30H,3-22,25H2,1-2H3;21,23-24,26H,3-20,22H2,1-2H3;2*1H4
• InChIKey: ZYDQMVXHBBIIMI-UHFFFAOYSA-N
• XLogP: 31.80
• TPSA: 474.20 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 32
• Rotatable Bonds: 162
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2890.99
LogP ≤ 5	31.80
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-[2-hydroxybutyl-(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;methane?

The IUPAC name of 1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-[2-hydroxybutyl-(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;methane (CID 162252393) is 1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-[2-hydroxybutyl-(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;methane.

What is the SMILES notation for 1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-[2-hydroxybutyl-(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;methane?

The canonical SMILES for 1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-[2-hydroxybutyl-(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;methane is C.C.CCCCCCCCCCCCC(O)CN(CCN(CCN)CCN(CC(O)CC)CC(O)C(C)CCCCCCCCCC)CC(O)CCCCCCCCCCC.CCCCCCCCCCCCC(O)CN(CCN(CCN)CCNC)CC(O)C(C)CCCCCCCCCC.CCCCCCCCCCCCC(O)CN(CCN(CCN)CCNCC(O)CC)CC(O)CCCCCCCCCCC.CCCCCCCCCCCCC(O)CNCCN(CCN)CCNC.CCCCCCCCCCCCC(O)CNCCN(CCN)CCNCC(O)CC.

What is the InChIKey of 1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-[2-hydroxybutyl-(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;methane?

The InChIKey is ZYDQMVXHBBIIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H108N4O4.C37H80N4O3.C35H76N4O2.C24H54N4O2.C21H48N4O.2CH4/c1-6-10-13-16-19-22-24-27-30-33-36-50(58)45-54(44-49(57)35-32-29-26-23-20-17-14-11-7-2)41-39-53(38-37-52)40-42-55(43-48(56)9-4)46-51(59)47(5)34-31-28-25-21-18-15-12-8-3;1-4-7-9-11-13-15-17-19-21-23-25-37(44)34-41(31-30-40(28-26-38)29-27-39-32-35(42)6-3)33-36(43)24-22-20-18-16-14-12-10-8-5-2;1-5-7-9-11-13-15-16-18-20-22-24-34(40)31-39(30-29-38(27-25-36)28-26-37-4)32-35(41)33(3)23-21-19-17-14-12-10-8-6-2;1-3-5-6-7-8-9-10-11-12-13-14-24(30)22-27-17-20-28(18-15-25)19-16-26-21-23(29)4-2;1-3-4-5-6-7-8-9-10-11-12-13-21(26)20-24-16-19-25(17-14-22)18-15-23-2;;/h47-51,56-59H,6-46,52H2,1-5H3;35-37,39,42-44H,4-34,38H2,1-3H3;33-35,37,40-41H,5-32,36H2,1-4H3;23-24,26-27,29-30H,3-22,25H2,1-2H3;21,23-24,26H,3-20,22H2,1-2H3;2*1H4.

What are the key properties of 1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-[2-hydroxybutyl-(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;methane?

1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-[2-hydroxybutyl-(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;methane has a molecular weight of 2890.99 g/mol, XLogP of 31.80, 162 rotatable bonds, 23 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(2-hydroxybutylamino)ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-[2-hydroxybutyl-(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxytridecyl)amino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]tetradecan-2-ol;1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;methane is sourced from PubChem (CID 162252393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).