2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol

C25H55N3O4 — CID 11510944

IUPAC2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol
SMILESCC(C)CCCCCCCCCCN(CCN(CCO)CCO)CCN(CCO)CCO
InChIInChI=1S/C25H55N3O4/c1-25(2)11-9-7-5-3-4-6-8-10-12-26(13-15-27(17-21-29)18-22-30)14-16-28(19-23-31)20-24-32/h25,29-32H,3-24H2,1-2H3
InChIKeyMWSITUZPPCHHDW-UHFFFAOYSA-N
MW461.73 g/mol
LogP2.03
Rot. Bonds25

About 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol

2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 11510944) has the molecular formula C25H55N3O4 and a molecular weight of 461.73 g/mol. Its IUPAC name is 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol
PubChem CID11510944
Molecular FormulaC25H55N3O4
Molecular Weight461.73 g/mol
Exact Mass461.42
IUPAC Name2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol
SMILESCC(C)CCCCCCCCCCN(CCN(CCO)CCO)CCN(CCO)CCO
InChIInChI=1S/C25H55N3O4/c1-25(2)11-9-7-5-3-4-6-8-10-12-26(13-15-27(17-21-29)18-22-30)14-16-28(19-23-31)20-24-32/h25,29-32H,3-24H2,1-2H3
InChIKeyMWSITUZPPCHHDW-UHFFFAOYSA-N
XLogP2.03
TPSA90.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.73
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol with MolForge

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Related Compounds

N,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319
N,N-dihexyl-12-methyltridecan-1-amine
CID 139723652
N,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine
CID 88608998
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
N-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792
N,N-dibutyl-12-methyltridecan-1-amine
CID 139723221
N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine
CID 139723116

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol (CID 11510944) is 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol is CC(C)CCCCCCCCCCN(CCN(CCO)CCO)CCN(CCO)CCO.
What is the InChIKey of 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is MWSITUZPPCHHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H55N3O4/c1-25(2)11-9-7-5-3-4-6-8-10-12-26(13-15-27(17-21-29)18-22-30)14-16-28(19-23-31)20-24-32/h25,29-32H,3-24H2,1-2H3.
What are the key properties of 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol?
2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 461.73 g/mol, XLogP of 2.03, 25 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 11510944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).