4-(diethylamino)butanoate;dihydrochloride

C8H18Cl2NO2- — CID 21450375

IUPAC4-(diethylamino)butanoate;dihydrochloride
SMILESCCN(CC)CCCC(=O)[O-].Cl.Cl
InChIInChI=1S/C8H17NO2.2ClH/c1-3-9(4-2)7-5-6-8(10)11;;/h3-7H2,1-2H3,(H,10,11);2*1H/p-1
InChIKeyRDXUABYMLVLYSZ-UHFFFAOYSA-M
MW231.14 g/mol
LogP0.70
Rot. Bonds6

About 4-(diethylamino)butanoate;dihydrochloride

4-(diethylamino)butanoate;dihydrochloride (PubChem CID 21450375) has the molecular formula C8H18Cl2NO2- and a molecular weight of 231.14 g/mol. Its IUPAC name is 4-(diethylamino)butanoate;dihydrochloride.

Molecular Properties

Compound Name4-(diethylamino)butanoate;dihydrochloride
PubChem CID21450375
Molecular FormulaC8H18Cl2NO2-
Molecular Weight231.14 g/mol
Exact Mass230.07
IUPAC Name4-(diethylamino)butanoate;dihydrochloride
SMILESCCN(CC)CCCC(=O)[O-].Cl.Cl
InChIInChI=1S/C8H17NO2.2ClH/c1-3-9(4-2)7-5-6-8(10)11;;/h3-7H2,1-2H3,(H,10,11);2*1H/p-1
InChIKeyRDXUABYMLVLYSZ-UHFFFAOYSA-M
XLogP0.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 4-(dioctylamino)butanoate
CID 101313458
potassium 4-(dihexadecylamino)butanoate
CID 101313936
potassium 4-[di(undecyl)amino]butanoate
CID 101313863
calcium bis(9-(dioctylamino)nonanoate)
CID 101313608
potassium 6-[di(tricosyl)amino]hexanoate
CID 101314750
potassium 6-[di(nonadecyl)amino]hexanoate
CID 101314650
calcium bis(6-[di(tricosyl)amino]hexanoate)
CID 101314752
calcium bis(5-[di(henicosyl)amino]pentanoate)
CID 101314318
calcium bis(7-(dioctylamino)heptanoate)
CID 101313533
calcium bis(5-(dioctadecylamino)pentanoate)
CID 101314258
lithium 5-(dioctylamino)pentanoate
CID 101313475
lithium 5-[di(tetradecyl)amino]pentanoate
CID 101314175

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)butanoate;dihydrochloride?
The IUPAC name of 4-(diethylamino)butanoate;dihydrochloride (CID 21450375) is 4-(diethylamino)butanoate;dihydrochloride.
What is the SMILES notation for 4-(diethylamino)butanoate;dihydrochloride?
The canonical SMILES for 4-(diethylamino)butanoate;dihydrochloride is CCN(CC)CCCC(=O)[O-].Cl.Cl.
What is the InChIKey of 4-(diethylamino)butanoate;dihydrochloride?
The InChIKey is RDXUABYMLVLYSZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17NO2.2ClH/c1-3-9(4-2)7-5-6-8(10)11;;/h3-7H2,1-2H3,(H,10,11);2*1H/p-1.
What are the key properties of 4-(diethylamino)butanoate;dihydrochloride?
4-(diethylamino)butanoate;dihydrochloride has a molecular weight of 231.14 g/mol, XLogP of 0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)butanoate;dihydrochloride is sourced from PubChem (CID 21450375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).