cerium(4+);bis((2S)-1-(dimethylamino)propan-2-olate);bis((2R)-1-(dimethylamino)propan-2-olate)

C20H48CeN4O4 — CID 139136402

IUPACcerium(4+);bis((2S)-1-(dimethylamino)propan-2-olate);bis((2R)-1-(dimethylamino)propan-2-olate)
SMILESC[C@@H]([O-])CN(C)C.C[C@@H]([O-])CN(C)C.C[C@H]([O-])CN(C)C.C[C@H]([O-])CN(C)C.[Ce+4]
InChIInChI=1S/4C5H12NO.Ce/c4*1-5(7)4-6(2)3;/h4*5H,4H2,1-3H3;/q4*-1;+4/t4*5-;/m1100./s1
InChIKeyIDCJPHNGTNTTGV-PWLAURNBSA-N
MW548.74 g/mol
LogP-2.81
Rot. Bonds8

About cerium(4+);bis((2S)-1-(dimethylamino)propan-2-olate);bis((2R)-1-(dimethylamino)propan-2-olate)

cerium(4+);bis((2S)-1-(dimethylamino)propan-2-olate);bis((2R)-1-(dimethylamino)propan-2-olate) (PubChem CID 139136402) has the molecular formula C20H48CeN4O4 and a molecular weight of 548.74 g/mol. Its IUPAC name is cerium(4+);bis((2S)-1-(dimethylamino)propan-2-olate);bis((2R)-1-(dimethylamino)propan-2-olate).

Molecular Properties

Compound Namecerium(4+);bis((2S)-1-(dimethylamino)propan-2-olate);bis((2R)-1-(dimethylamino)propan-2-olate)
PubChem CID139136402
Molecular FormulaC20H48CeN4O4
Molecular Weight548.74 g/mol
Exact Mass548.27
IUPAC Namecerium(4+);bis((2S)-1-(dimethylamino)propan-2-olate);bis((2R)-1-(dimethylamino)propan-2-olate)
SMILESC[C@@H]([O-])CN(C)C.C[C@@H]([O-])CN(C)C.C[C@H]([O-])CN(C)C.C[C@H]([O-])CN(C)C.[Ce+4]
InChIInChI=1S/4C5H12NO.Ce/c4*1-5(7)4-6(2)3;/h4*5H,4H2,1-3H3;/q4*-1;+4/t4*5-;/m1100./s1
InChIKeyIDCJPHNGTNTTGV-PWLAURNBSA-N
XLogP-2.81
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.74
LogP ≤ 5-2.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride
CID 22731000
2-[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 547455
CID 21287725
CID 21287725
(2R)-N,N,2,3-tetramethylpentan-1-amine
CID 130182039
ethane;N,N,2-trimethylbutan-1-amine
CID 144720352
(2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 143518615
2-chloro-N,N-dimethylpropan-1-amine;hydron;chloride
CID 74765572
ethane;(2R)-N,N,2-trimethylbutan-1-amine
CID 178101295
N,N,2,4-tetramethylpentan-1-amine
CID 58758115
N,N,N',N',2-pentamethylhexane-1,6-diamine
CID 161408283
1,3-bis(dimethylamino)propane-2-thiol
CID 13474082
N,N-dimethyl-2,2-dinitroethanamine
CID 15751539

Frequently Asked Questions

What is the IUPAC name of cerium(4+);bis((2S)-1-(dimethylamino)propan-2-olate);bis((2R)-1-(dimethylamino)propan-2-olate)?
The IUPAC name of cerium(4+);bis((2S)-1-(dimethylamino)propan-2-olate);bis((2R)-1-(dimethylamino)propan-2-olate) (CID 139136402) is cerium(4+);bis((2S)-1-(dimethylamino)propan-2-olate);bis((2R)-1-(dimethylamino)propan-2-olate).
What is the SMILES notation for cerium(4+);bis((2S)-1-(dimethylamino)propan-2-olate);bis((2R)-1-(dimethylamino)propan-2-olate)?
The canonical SMILES for cerium(4+);bis((2S)-1-(dimethylamino)propan-2-olate);bis((2R)-1-(dimethylamino)propan-2-olate) is C[C@@H]([O-])CN(C)C.C[C@@H]([O-])CN(C)C.C[C@H]([O-])CN(C)C.C[C@H]([O-])CN(C)C.[Ce+4].
What is the InChIKey of cerium(4+);bis((2S)-1-(dimethylamino)propan-2-olate);bis((2R)-1-(dimethylamino)propan-2-olate)?
The InChIKey is IDCJPHNGTNTTGV-PWLAURNBSA-N. The full InChI is InChI=1S/4C5H12NO.Ce/c4*1-5(7)4-6(2)3;/h4*5H,4H2,1-3H3;/q4*-1;+4/t4*5-;/m1100./s1.
What are the key properties of cerium(4+);bis((2S)-1-(dimethylamino)propan-2-olate);bis((2R)-1-(dimethylamino)propan-2-olate)?
cerium(4+);bis((2S)-1-(dimethylamino)propan-2-olate);bis((2R)-1-(dimethylamino)propan-2-olate) has a molecular weight of 548.74 g/mol, XLogP of -2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(4+);bis((2S)-1-(dimethylamino)propan-2-olate);bis((2R)-1-(dimethylamino)propan-2-olate) is sourced from PubChem (CID 139136402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).