zinc bis(3-(dicyclohexylamino)propanoate)

C30H52N2O4Zn — CID 70302332

IUPACzinc bis(3-(dicyclohexylamino)propanoate)
SMILESO=C([O-])CCN(C1CCCCC1)C1CCCCC1.O=C([O-])CCN(C1CCCCC1)C1CCCCC1.[Zn+2]
InChIInChI=1S/2C15H27NO2.Zn/c2*17-15(18)11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h2*13-14H,1-12H2,(H,17,18);/q;;+2/p-2
InChIKeySZTNPHCJWIMRLY-UHFFFAOYSA-L
MW570.15 g/mol
LogP4.19
Rot. Bonds10

About zinc bis(3-(dicyclohexylamino)propanoate)

zinc bis(3-(dicyclohexylamino)propanoate) (PubChem CID 70302332) has the molecular formula C30H52N2O4Zn and a molecular weight of 570.15 g/mol. Its IUPAC name is zinc bis(3-(dicyclohexylamino)propanoate).

Molecular Properties

Compound Namezinc bis(3-(dicyclohexylamino)propanoate)
PubChem CID70302332
Molecular FormulaC30H52N2O4Zn
Molecular Weight570.15 g/mol
Exact Mass568.32
IUPAC Namezinc bis(3-(dicyclohexylamino)propanoate)
SMILESO=C([O-])CCN(C1CCCCC1)C1CCCCC1.O=C([O-])CCN(C1CCCCC1)C1CCCCC1.[Zn+2]
InChIInChI=1S/2C15H27NO2.Zn/c2*17-15(18)11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h2*13-14H,1-12H2,(H,17,18);/q;;+2/p-2
InChIKeySZTNPHCJWIMRLY-UHFFFAOYSA-L
XLogP4.19
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.15
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(dicyclohexylamino)-4-oxobutanoate
CID 40784781
3-(dicyclohexylamino)-N-[6-[3-(dicyclohexylamino)propanoylamino]hexyl]propanamide
CID 164764560
N-(2-chloroethyl)-N-cyclobutylcycloheptanamine
CID 102861307
2-(dicyclohexylamino)ethanesulfonate
CID 153294170
1-(dicyclohexylamino)-5-(dioctadecylamino)pentan-3-one
CID 177429349
1-(dicyclohexylamino)propan-2-one
CID 43219211
butanoate;dicyclohexylazanium
CID 141420564
2-(dicyclohexylamino)ethyl dihydrogen phosphate
CID 90860434
2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid
CID 70554590
N',N'-dicyclopentylethane-1,2-diamine
CID 20816831
4-cyclohexylbutanoate;lead(2+)
CID 21118991
bis(4-cyclohexylbutanoate);iron(2+)
CID 22104083

Frequently Asked Questions

What is the IUPAC name of zinc bis(3-(dicyclohexylamino)propanoate)?
The IUPAC name of zinc bis(3-(dicyclohexylamino)propanoate) (CID 70302332) is zinc bis(3-(dicyclohexylamino)propanoate).
What is the SMILES notation for zinc bis(3-(dicyclohexylamino)propanoate)?
The canonical SMILES for zinc bis(3-(dicyclohexylamino)propanoate) is O=C([O-])CCN(C1CCCCC1)C1CCCCC1.O=C([O-])CCN(C1CCCCC1)C1CCCCC1.[Zn+2].
What is the InChIKey of zinc bis(3-(dicyclohexylamino)propanoate)?
The InChIKey is SZTNPHCJWIMRLY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H27NO2.Zn/c2*17-15(18)11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h2*13-14H,1-12H2,(H,17,18);/q;;+2/p-2.
What are the key properties of zinc bis(3-(dicyclohexylamino)propanoate)?
zinc bis(3-(dicyclohexylamino)propanoate) has a molecular weight of 570.15 g/mol, XLogP of 4.19, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(3-(dicyclohexylamino)propanoate) is sourced from PubChem (CID 70302332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).