bis[2-(dimethylamino)ethyl] decanedioate;hydrochloride

C18H37ClN2O4 — CID 16682345

IUPACbis[2-(dimethylamino)ethyl] decanedioate;hydrochloride
SMILESCN(C)CCOC(=O)CCCCCCCCC(=O)OCCN(C)C.Cl
InChIInChI=1S/C18H36N2O4.ClH/c1-19(2)13-15-23-17(21)11-9-7-5-6-8-10-12-18(22)24-16-14-20(3)4;/h5-16H2,1-4H3;1H
InChIKeyCIPDRAVLFCLRLW-UHFFFAOYSA-N
MW380.96 g/mol
LogP2.74
Rot. Bonds15

About bis[2-(dimethylamino)ethyl] decanedioate;hydrochloride

bis[2-(dimethylamino)ethyl] decanedioate;hydrochloride (PubChem CID 16682345) has the molecular formula C18H37ClN2O4 and a molecular weight of 380.96 g/mol. Its IUPAC name is bis[2-(dimethylamino)ethyl] decanedioate;hydrochloride.

Molecular Properties

Compound Namebis[2-(dimethylamino)ethyl] decanedioate;hydrochloride
PubChem CID16682345
Molecular FormulaC18H37ClN2O4
Molecular Weight380.96 g/mol
Exact Mass380.24
IUPAC Namebis[2-(dimethylamino)ethyl] decanedioate;hydrochloride
SMILESCN(C)CCOC(=O)CCCCCCCCC(=O)OCCN(C)C.Cl
InChIInChI=1S/C18H36N2O4.ClH/c1-19(2)13-15-23-17(21)11-9-7-5-6-8-10-12-18(22)24-16-14-20(3)4;/h5-16H2,1-4H3;1H
InChIKeyCIPDRAVLFCLRLW-UHFFFAOYSA-N
XLogP2.74
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.96
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[2-(dimethylamino)ethyl] decanedioate;hydrochloride?
The IUPAC name of bis[2-(dimethylamino)ethyl] decanedioate;hydrochloride (CID 16682345) is bis[2-(dimethylamino)ethyl] decanedioate;hydrochloride.
What is the SMILES notation for bis[2-(dimethylamino)ethyl] decanedioate;hydrochloride?
The canonical SMILES for bis[2-(dimethylamino)ethyl] decanedioate;hydrochloride is CN(C)CCOC(=O)CCCCCCCCC(=O)OCCN(C)C.Cl.
What is the InChIKey of bis[2-(dimethylamino)ethyl] decanedioate;hydrochloride?
The InChIKey is CIPDRAVLFCLRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O4.ClH/c1-19(2)13-15-23-17(21)11-9-7-5-6-8-10-12-18(22)24-16-14-20(3)4;/h5-16H2,1-4H3;1H.
What are the key properties of bis[2-(dimethylamino)ethyl] decanedioate;hydrochloride?
bis[2-(dimethylamino)ethyl] decanedioate;hydrochloride has a molecular weight of 380.96 g/mol, XLogP of 2.74, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(dimethylamino)ethyl] decanedioate;hydrochloride is sourced from PubChem (CID 16682345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).