bis(3-(dipropylamino)propanoate);nickel(2+)

C18H36N2NiO4 — CID 88802202

IUPACbis(3-(dipropylamino)propanoate);nickel(2+)
SMILESCCCN(CCC)CCC(=O)[O-].CCCN(CCC)CCC(=O)[O-].[Ni+2]
InChIInChI=1S/2C9H19NO2.Ni/c2*1-3-6-10(7-4-2)8-5-9(11)12;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2
InChIKeyVCAIDVKGJHYOAU-UHFFFAOYSA-L
MW403.19 g/mol
LogP0.49
Rot. Bonds14

About bis(3-(dipropylamino)propanoate);nickel(2+)

bis(3-(dipropylamino)propanoate);nickel(2+) (PubChem CID 88802202) has the molecular formula C18H36N2NiO4 and a molecular weight of 403.19 g/mol. Its IUPAC name is bis(3-(dipropylamino)propanoate);nickel(2+).

Molecular Properties

Compound Namebis(3-(dipropylamino)propanoate);nickel(2+)
PubChem CID88802202
Molecular FormulaC18H36N2NiO4
Molecular Weight403.19 g/mol
Exact Mass402.20
IUPAC Namebis(3-(dipropylamino)propanoate);nickel(2+)
SMILESCCCN(CCC)CCC(=O)[O-].CCCN(CCC)CCC(=O)[O-].[Ni+2]
InChIInChI=1S/2C9H19NO2.Ni/c2*1-3-6-10(7-4-2)8-5-9(11)12;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2
InChIKeyVCAIDVKGJHYOAU-UHFFFAOYSA-L
XLogP0.49
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.19
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dipropylamino)propanoate
CID 23175384
bis(3-(dioctylamino)propanoate);nickel(2+)
CID 88802557
lithium 3-[di(tetracosyl)amino]propanoate
CID 101313807
sodium 3-[di(tridecyl)amino]propanoate
CID 101313710
sodium 3-[2-carboxylatoethyl(tetradecyl)amino]propanoate
CID 91864467
potassium 3-(didecylamino)propanoate
CID 101313684
disodium;butanoate;hydroxide
CID 173219323
butanoate;hafnium(4+);trihydroxide
CID 159888160
tetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(3-oxopropyl)amino]propanoate;hydroxide
CID 154597232
lithium 6-[di(nonadecyl)amino]hexanoate
CID 101314649
sodium 4-(dioctylamino)butanoate
CID 101313458
calcium bis(7-(dioctylamino)heptanoate)
CID 101313533

Frequently Asked Questions

What is the IUPAC name of bis(3-(dipropylamino)propanoate);nickel(2+)?
The IUPAC name of bis(3-(dipropylamino)propanoate);nickel(2+) (CID 88802202) is bis(3-(dipropylamino)propanoate);nickel(2+).
What is the SMILES notation for bis(3-(dipropylamino)propanoate);nickel(2+)?
The canonical SMILES for bis(3-(dipropylamino)propanoate);nickel(2+) is CCCN(CCC)CCC(=O)[O-].CCCN(CCC)CCC(=O)[O-].[Ni+2].
What is the InChIKey of bis(3-(dipropylamino)propanoate);nickel(2+)?
The InChIKey is VCAIDVKGJHYOAU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H19NO2.Ni/c2*1-3-6-10(7-4-2)8-5-9(11)12;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2.
What are the key properties of bis(3-(dipropylamino)propanoate);nickel(2+)?
bis(3-(dipropylamino)propanoate);nickel(2+) has a molecular weight of 403.19 g/mol, XLogP of 0.49, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(dipropylamino)propanoate);nickel(2+) is sourced from PubChem (CID 88802202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).