bis(2-(diethylamino)ethanol);hexanedioic acid

C18H40N2O6 — CID 22571154

IUPACbis(2-(diethylamino)ethanol);hexanedioic acid
SMILESCCN(CC)CCO.CCN(CC)CCO.O=C(O)CCCCC(=O)O
InChIInChI=1S/2C6H15NO.C6H10O4/c2*1-3-7(4-2)5-6-8;7-5(8)3-1-2-4-6(9)10/h2*8H,3-6H2,1-2H3;1-4H2,(H,7,8)(H,9,10)
InChIKeyBUVLLMREBRZNHQ-UHFFFAOYSA-N
MW380.53 g/mol
LogP1.36
Rot. Bonds13

About bis(2-(diethylamino)ethanol);hexanedioic acid

bis(2-(diethylamino)ethanol);hexanedioic acid (PubChem CID 22571154) has the molecular formula C18H40N2O6 and a molecular weight of 380.53 g/mol. Its IUPAC name is bis(2-(diethylamino)ethanol);hexanedioic acid.

Molecular Properties

Compound Namebis(2-(diethylamino)ethanol);hexanedioic acid
PubChem CID22571154
Molecular FormulaC18H40N2O6
Molecular Weight380.53 g/mol
Exact Mass380.29
IUPAC Namebis(2-(diethylamino)ethanol);hexanedioic acid
SMILESCCN(CC)CCO.CCN(CC)CCO.O=C(O)CCCCC(=O)O
InChIInChI=1S/2C6H15NO.C6H10O4/c2*1-3-7(4-2)5-6-8;7-5(8)3-1-2-4-6(9)10/h2*8H,3-6H2,1-2H3;1-4H2,(H,7,8)(H,9,10)
InChIKeyBUVLLMREBRZNHQ-UHFFFAOYSA-N
XLogP1.36
TPSA121.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

hexadecanoic acid;2-[2-hydroxyethyl(tetracosyl)amino]ethanol
CID 90146253
2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid
CID 158492988
2-[heptadecyl(2-hydroxyethyl)amino]ethanol;octadecanoic acid
CID 90146098
docosanoic acid;2-[2-hydroxyethyl(tetradecyl)amino]ethanol
CID 158369485
2-[bis(2-hydroxyethyl)amino]ethanol;butanoic acid
CID 13094119
2-(dimethylamino)ethanol;hexanedioic acid
CID 159637742
6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid
CID 82329589
4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570
N,N-diethylethanamine;docosanoic acid
CID 53470672
N-decyl-N',N'-diethylpropane-1,3-diamine;octadecanoic acid
CID 157321118
(Z)-18-(diethylamino)octadec-9-enoic acid
CID 87447290
N,N-diethylethanamine;octanoic acid;hydrofluoride
CID 174857533

Frequently Asked Questions

What is the IUPAC name of bis(2-(diethylamino)ethanol);hexanedioic acid?
The IUPAC name of bis(2-(diethylamino)ethanol);hexanedioic acid (CID 22571154) is bis(2-(diethylamino)ethanol);hexanedioic acid.
What is the SMILES notation for bis(2-(diethylamino)ethanol);hexanedioic acid?
The canonical SMILES for bis(2-(diethylamino)ethanol);hexanedioic acid is CCN(CC)CCO.CCN(CC)CCO.O=C(O)CCCCC(=O)O.
What is the InChIKey of bis(2-(diethylamino)ethanol);hexanedioic acid?
The InChIKey is BUVLLMREBRZNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15NO.C6H10O4/c2*1-3-7(4-2)5-6-8;7-5(8)3-1-2-4-6(9)10/h2*8H,3-6H2,1-2H3;1-4H2,(H,7,8)(H,9,10).
What are the key properties of bis(2-(diethylamino)ethanol);hexanedioic acid?
bis(2-(diethylamino)ethanol);hexanedioic acid has a molecular weight of 380.53 g/mol, XLogP of 1.36, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(diethylamino)ethanol);hexanedioic acid is sourced from PubChem (CID 22571154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).