2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane

C51H121N13O8 — CID 161429573

IUPAC2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane
SMILESC.CCCCN(C)CCN(CCN(CCN(C)CCO)CCN(C)CCO)CCN(CCO)CCN(CCO)CCN(C)CCN(CCO)CCN(C)CCN(C)CCO.CN(CCO)CCN(C)CCO
InChIInChI=1S/C42H97N11O6.C8H20N2O2.CH4/c1-8-9-10-43(2)13-19-50(26-25-49(20-17-47(6)32-38-55)21-18-48(7)33-39-56)27-28-53(36-42-59)30-29-52(35-41-58)24-16-45(4)15-23-51(34-40-57)22-14-44(3)11-12-46(5)31-37-54;1-9(5-7-11)3-4-10(2)6-8-12;/h54-59H,8-42H2,1-7H3;11-12H,3-8H2,1-2H3;1H4
InChIKeyVXVFTRYPBCLTAY-UHFFFAOYSA-N
MW1044.61 g/mol
LogP-3.69
Rot. Bonds52

About 2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane

2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane (PubChem CID 161429573) has the molecular formula C51H121N13O8 and a molecular weight of 1044.61 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane
PubChem CID161429573
Molecular FormulaC51H121N13O8
Molecular Weight1044.61 g/mol
Exact Mass1043.95
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane
SMILESC.CCCCN(C)CCN(CCN(CCN(C)CCO)CCN(C)CCO)CCN(CCO)CCN(CCO)CCN(C)CCN(CCO)CCN(C)CCN(C)CCO.CN(CCO)CCN(C)CCO
InChIInChI=1S/C42H97N11O6.C8H20N2O2.CH4/c1-8-9-10-43(2)13-19-50(26-25-49(20-17-47(6)32-38-55)21-18-48(7)33-39-56)27-28-53(36-42-59)30-29-52(35-41-58)24-16-45(4)15-23-51(34-40-57)22-14-44(3)11-12-46(5)31-37-54;1-9(5-7-11)3-4-10(2)6-8-12;/h54-59H,8-42H2,1-7H3;11-12H,3-8H2,1-2H3;1H4
InChIKeyVXVFTRYPBCLTAY-UHFFFAOYSA-N
XLogP-3.69
TPSA203.96 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds52
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001044.61
LogP ≤ 5-3.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane with MolForge

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Related Compounds

2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol
CID 139832314
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride
CID 167715204
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
2-[heptadecyl(methyl)amino]ethanol;hydrochloride
CID 175607509
2-[methyl(undecyl)amino]ethanol;hydrochloride
CID 174969696
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine
CID 170755235
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
2-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl-methylamino]ethanol
CID 164814017
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane (CID 161429573) is 2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane is C.CCCCN(C)CCN(CCN(CCN(C)CCO)CCN(C)CCO)CCN(CCO)CCN(CCO)CCN(C)CCN(CCO)CCN(C)CCN(C)CCO.CN(CCO)CCN(C)CCO.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane?
The InChIKey is VXVFTRYPBCLTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H97N11O6.C8H20N2O2.CH4/c1-8-9-10-43(2)13-19-50(26-25-49(20-17-47(6)32-38-55)21-18-48(7)33-39-56)27-28-53(36-42-59)30-29-52(35-41-58)24-16-45(4)15-23-51(34-40-57)22-14-44(3)11-12-46(5)31-37-54;1-9(5-7-11)3-4-10(2)6-8-12;/h54-59H,8-42H2,1-7H3;11-12H,3-8H2,1-2H3;1H4.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane?
2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane has a molecular weight of 1044.61 g/mol, XLogP of -3.69, 52 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane is sourced from PubChem (CID 161429573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).