1-[2-[bis[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl-(2-hydroxybutyl)amino]tetradecan-2-ol;1-[2-[2-(2-hydroxybutylamino)ethyl-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;1-[2-hydroxybutyl-[2-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl-[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl]amino]tetradecan-2-ol;methane

C199H418N12O15 — CID 159765487

About 1-[2-[bis[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl-(2-hydroxybutyl)amino]tetradecan-2-ol;1-[2-[2-(2-hydroxybutylamino)ethyl-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;1-[2-hydroxybutyl-[2-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl-[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl]amino]tetradecan-2-ol;methane

1-[2-[bis[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl-(2-hydroxybutyl)amino]tetradecan-2-ol;1-[2-[2-(2-hydroxybutylamino)ethyl-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;1-[2-hydroxybutyl-[2-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl-[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl]amino]tetradecan-2-ol;methane (PubChem CID 159765487) has the molecular formula C199H418N12O15 and a molecular weight of 3219.60 g/mol. Its IUPAC name is 1-[2-[bis[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl-(2-hydroxybutyl)amino]tetradecan-2-ol;1-[2-[2-(2-hydroxybutylamino)ethyl-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;1-[2-hydroxybutyl-[2-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl-[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl]amino]tetradecan-2-ol;methane.

Molecular Properties

• Compound Name: 1-[2-[bis[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl-(2-hydroxybutyl)amino]tetradecan-2-ol;1-[2-[2-(2-hydroxybutylamino)ethyl-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;1-[2-hydroxybutyl-[2-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl-[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl]amino]tetradecan-2-ol;methane
• PubChem CID: 159765487
• Molecular Formula: C199H418N12O15
• Molecular Weight: 3219.60 g/mol
• Exact Mass: 3217.23
• IUPAC Name: 1-[2-[bis[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl-(2-hydroxybutyl)amino]tetradecan-2-ol;1-[2-[2-(2-hydroxybutylamino)ethyl-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;1-[2-hydroxybutyl-[2-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl-[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl]amino]tetradecan-2-ol;methane
• SMILES: C.CCCCCCCCCCCCC(O)CN(CCN(CCN(CC(O)CCCCCCCCCCCC)CC(O)C(C)CCCCCCCCCC)CCN(CC(O)CCCCCCCCCCCC)CC(O)C(C)CCCCCCCCCC)CC(O)CC.CCCCCCCCCCCCC(O)CN(CCN(CCNCC(O)C(C)CCCCCCCCCC)CCN(CC(O)CCCCCCCCCCCC)CC(O)C(C)CCCCCCCCCC)CC(O)CC.CCCCCCCCCCCCC(O)CN(CCN(CCNCC(O)CC)CCNCC(O)C(C)CCCCCCCCCC)CC(O)C(C)CCCCCCCCCC
• InChI: InChI=1S/C80H166N4O6.C66H138N4O5.C52H110N4O4.CH4/c1-9-15-20-25-30-35-38-43-48-53-58-76(86)68-82(67-75(85)14-6)64-61-81(62-65-83(69-77(87)59-54-49-44-39-36-31-26-21-16-10-2)71-79(89)73(7)56-51-46-41-33-28-23-18-12-4)63-66-84(70-78(88)60-55-50-45-40-37-32-27-22-17-11-3)72-80(90)74(8)57-52-47-42-34-29-24-19-13-5;1-8-13-17-21-25-29-31-35-39-43-47-63(72)57-69(56-62(71)12-5)53-51-68(50-49-67-55-65(74)60(6)45-41-37-33-27-23-19-15-10-3)52-54-70(58-64(73)48-44-40-36-32-30-26-22-18-14-9-2)59-66(75)61(7)46-42-38-34-28-24-20-16-11-4;1-7-11-14-17-20-23-24-27-30-33-36-50(58)45-56(46-52(60)48(6)35-32-29-26-22-19-16-13-9-3)42-41-55(39-37-53-43-49(57)10-4)40-38-54-44-51(59)47(5)34-31-28-25-21-18-15-12-8-2;/h73-80,85-90H,9-72H2,1-8H3;60-67,71-75H,8-59H2,1-7H3;47-54,57-60H,7-46H2,1-6H3;1H4
• InChIKey: NFLDBRGBKAPXCU-UHFFFAOYSA-N
• XLogP: 47.59
• TPSA: 368.70 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 27
• Rotatable Bonds: 186
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3219.60
LogP ≤ 5	47.59
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[2-[bis[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl-(2-hydroxybutyl)amino]tetradecan-2-ol;1-[2-[2-(2-hydroxybutylamino)ethyl-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;1-[2-hydroxybutyl-[2-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl-[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl]amino]tetradecan-2-ol;methane (CID 159765487) is 1-[2-[bis[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl-(2-hydroxybutyl)amino]tetradecan-2-ol;1-[2-[2-(2-hydroxybutylamino)ethyl-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;1-[2-hydroxybutyl-[2-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl-[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl]amino]tetradecan-2-ol;methane.

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

The canonical SMILES for 1-[2-[bis[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl-(2-hydroxybutyl)amino]tetradecan-2-ol;1-[2-[2-(2-hydroxybutylamino)ethyl-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;1-[2-hydroxybutyl-[2-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl-[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl]amino]tetradecan-2-ol;methane is C.CCCCCCCCCCCCC(O)CN(CCN(CCN(CC(O)CCCCCCCCCCCC)CC(O)C(C)CCCCCCCCCC)CCN(CC(O)CCCCCCCCCCCC)CC(O)C(C)CCCCCCCCCC)CC(O)CC.CCCCCCCCCCCCC(O)CN(CCN(CCNCC(O)C(C)CCCCCCCCCC)CCN(CC(O)CCCCCCCCCCCC)CC(O)C(C)CCCCCCCCCC)CC(O)CC.CCCCCCCCCCCCC(O)CN(CCN(CCNCC(O)CC)CCNCC(O)C(C)CCCCCCCCCC)CC(O)C(C)CCCCCCCCCC.

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

The InChIKey is NFLDBRGBKAPXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H166N4O6.C66H138N4O5.C52H110N4O4.CH4/c1-9-15-20-25-30-35-38-43-48-53-58-76(86)68-82(67-75(85)14-6)64-61-81(62-65-83(69-77(87)59-54-49-44-39-36-31-26-21-16-10-2)71-79(89)73(7)56-51-46-41-33-28-23-18-12-4)63-66-84(70-78(88)60-55-50-45-40-37-32-27-22-17-11-3)72-80(90)74(8)57-52-47-42-34-29-24-19-13-5;1-8-13-17-21-25-29-31-35-39-43-47-63(72)57-69(56-62(71)12-5)53-51-68(50-49-67-55-65(74)60(6)45-41-37-33-27-23-19-15-10-3)52-54-70(58-64(73)48-44-40-36-32-30-26-22-18-14-9-2)59-66(75)61(7)46-42-38-34-28-24-20-16-11-4;1-7-11-14-17-20-23-24-27-30-33-36-50(58)45-56(46-52(60)48(6)35-32-29-26-22-19-16-13-9-3)42-41-55(39-37-53-43-49(57)10-4)40-38-54-44-51(59)47(5)34-31-28-25-21-18-15-12-8-2;/h73-80,85-90H,9-72H2,1-8H3;60-67,71-75H,8-59H2,1-7H3;47-54,57-60H,7-46H2,1-6H3;1H4.

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

1-[2-[bis[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl-(2-hydroxybutyl)amino]tetradecan-2-ol;1-[2-[2-(2-hydroxybutylamino)ethyl-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;1-[2-hydroxybutyl-[2-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl-[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl]amino]tetradecan-2-ol;methane has a molecular weight of 3219.60 g/mol, XLogP of 47.59, 186 rotatable bonds, 18 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[bis[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl-(2-hydroxybutyl)amino]tetradecan-2-ol;1-[2-[2-(2-hydroxybutylamino)ethyl-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]tetradecan-2-ol;1-[2-hydroxybutyl-[2-[2-[(2-hydroxy-3-methyltridecyl)amino]ethyl-[2-[(2-hydroxy-3-methyltridecyl)-(2-hydroxytetradecyl)amino]ethyl]amino]ethyl]amino]tetradecan-2-ol;methane is sourced from PubChem (CID 159765487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).