zinc bis(3-(dipropylamino)propanoate)

C18H36N2O4Zn — CID 23292677

IUPACzinc bis(3-(dipropylamino)propanoate)
SMILESCCCN(CCC)CCC(=O)[O-].CCCN(CCC)CCC(=O)[O-].[Zn+2]
InChIInChI=1S/2C9H19NO2.Zn/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
InChIKeyHYYSZXMFSWWOTP-UHFFFAOYSA-L
MW409.89 g/mol
LogP0.49
Rot. Bonds14

About zinc bis(3-(dipropylamino)propanoate)

zinc bis(3-(dipropylamino)propanoate) (PubChem CID 23292677) has the molecular formula C18H36N2O4Zn and a molecular weight of 409.89 g/mol. Its IUPAC name is zinc bis(3-(dipropylamino)propanoate).

Molecular Properties

Compound Namezinc bis(3-(dipropylamino)propanoate)
PubChem CID23292677
Molecular FormulaC18H36N2O4Zn
Molecular Weight409.89 g/mol
Exact Mass408.20
IUPAC Namezinc bis(3-(dipropylamino)propanoate)
SMILESCCCN(CCC)CCC(=O)[O-].CCCN(CCC)CCC(=O)[O-].[Zn+2]
InChIInChI=1S/2C9H19NO2.Zn/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
InChIKeyHYYSZXMFSWWOTP-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 ≤ 500409.89
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc bis(3-(dipropylamino)propanoate)?
The IUPAC name of zinc bis(3-(dipropylamino)propanoate) (CID 23292677) is zinc bis(3-(dipropylamino)propanoate).
What is the SMILES notation for zinc bis(3-(dipropylamino)propanoate)?
The canonical SMILES for zinc bis(3-(dipropylamino)propanoate) is CCCN(CCC)CCC(=O)[O-].CCCN(CCC)CCC(=O)[O-].[Zn+2].
What is the InChIKey of zinc bis(3-(dipropylamino)propanoate)?
The InChIKey is HYYSZXMFSWWOTP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H19NO2.Zn/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 zinc bis(3-(dipropylamino)propanoate)?
zinc bis(3-(dipropylamino)propanoate) has a molecular weight of 409.89 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 zinc bis(3-(dipropylamino)propanoate) is sourced from PubChem (CID 23292677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).