bis(diethylamino) hexanedioate

C14H28N2O4 — CID 18954541

IUPACbis(diethylamino) hexanedioate
SMILESCCN(CC)OC(=O)CCCCC(=O)ON(CC)CC
InChIInChI=1S/C14H28N2O4/c1-5-15(6-2)19-13(17)11-9-10-12-14(18)20-16(7-3)8-4/h5-12H2,1-4H3
InChIKeyNUHISALSTJIFTA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.15
Rot. Bonds11

About bis(diethylamino) hexanedioate

bis(diethylamino) hexanedioate (PubChem CID 18954541) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is bis(diethylamino) hexanedioate.

Molecular Properties

Compound Namebis(diethylamino) hexanedioate
PubChem CID18954541
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Namebis(diethylamino) hexanedioate
SMILESCCN(CC)OC(=O)CCCCC(=O)ON(CC)CC
InChIInChI=1S/C14H28N2O4/c1-5-15(6-2)19-13(17)11-9-10-12-14(18)20-16(7-3)8-4/h5-12H2,1-4H3
InChIKeyNUHISALSTJIFTA-UHFFFAOYSA-N
XLogP2.15
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

sodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride
CID 175434885
(dibutylamino) 10-methyldodecanoate
CID 88836236
dimethylamino pentadecanoate
CID 57147620
1-O-amino 3-O-(diethylamino) propanedioate
CID 174719636
butyl(dodecanoyloxy)carbamic acid
CID 54414484
(dibutylamino) propanoate
CID 154448533
(dioctylamino) 9-ethylundecanoate
CID 178167166
(dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-(dimethylamino)ethyl]amino]decanoate
CID 171586184
diethyl hexanedioate
CID 160747628
bis(propanoyloxymethyl) heptanedioate
CID 90973893
diethylamino 2-amino-2-oxoacetate
CID 123923586
[bis(1-hydroxyethyl)amino] dodecanoate
CID 57192551

Frequently Asked Questions

What is the IUPAC name of bis(diethylamino) hexanedioate?
The IUPAC name of bis(diethylamino) hexanedioate (CID 18954541) is bis(diethylamino) hexanedioate.
What is the SMILES notation for bis(diethylamino) hexanedioate?
The canonical SMILES for bis(diethylamino) hexanedioate is CCN(CC)OC(=O)CCCCC(=O)ON(CC)CC.
What is the InChIKey of bis(diethylamino) hexanedioate?
The InChIKey is NUHISALSTJIFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-5-15(6-2)19-13(17)11-9-10-12-14(18)20-16(7-3)8-4/h5-12H2,1-4H3.
What are the key properties of bis(diethylamino) hexanedioate?
bis(diethylamino) hexanedioate has a molecular weight of 288.39 g/mol, XLogP of 2.15, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethylamino) hexanedioate is sourced from PubChem (CID 18954541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).