calcium;N,N,N',N'-tetramethylethane-1,2-diamine;bis(2,2,6,6-tetramethylpiperidin-1-ide)

C24H52CaN4 — CID 139126310

IUPACcalcium;N,N,N',N'-tetramethylethane-1,2-diamine;bis(2,2,6,6-tetramethylpiperidin-1-ide)
SMILESCC1(C)CCCC(C)(C)[N-]1.CC1(C)CCCC(C)(C)[N-]1.CN(C)CCN(C)C.[Ca+2]
InChIInChI=1S/2C9H18N.C6H16N2.Ca/c2*1-8(2)6-5-7-9(3,4)10-8;1-7(2)5-6-8(3)4;/h2*5-7H2,1-4H3;5-6H2,1-4H3;/q2*-1;;+2
InChIKeyQDDLXPGOMVOKJS-UHFFFAOYSA-N
MW436.79 g/mol
LogP5.93
Rot. Bonds3

About calcium;N,N,N',N'-tetramethylethane-1,2-diamine;bis(2,2,6,6-tetramethylpiperidin-1-ide)

calcium;N,N,N',N'-tetramethylethane-1,2-diamine;bis(2,2,6,6-tetramethylpiperidin-1-ide) (PubChem CID 139126310) has the molecular formula C24H52CaN4 and a molecular weight of 436.79 g/mol. Its IUPAC name is calcium;N,N,N',N'-tetramethylethane-1,2-diamine;bis(2,2,6,6-tetramethylpiperidin-1-ide).

Molecular Properties

Compound Namecalcium;N,N,N',N'-tetramethylethane-1,2-diamine;bis(2,2,6,6-tetramethylpiperidin-1-ide)
PubChem CID139126310
Molecular FormulaC24H52CaN4
Molecular Weight436.79 g/mol
Exact Mass436.38
IUPAC Namecalcium;N,N,N',N'-tetramethylethane-1,2-diamine;bis(2,2,6,6-tetramethylpiperidin-1-ide)
SMILESCC1(C)CCCC(C)(C)[N-]1.CC1(C)CCCC(C)(C)[N-]1.CN(C)CCN(C)C.[Ca+2]
InChIInChI=1S/2C9H18N.C6H16N2.Ca/c2*1-8(2)6-5-7-9(3,4)10-8;1-7(2)5-6-8(3)4;/h2*5-7H2,1-4H3;5-6H2,1-4H3;/q2*-1;;+2
InChIKeyQDDLXPGOMVOKJS-UHFFFAOYSA-N
XLogP5.93
TPSA34.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.79
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of calcium;N,N,N',N'-tetramethylethane-1,2-diamine;bis(2,2,6,6-tetramethylpiperidin-1-ide)?
The IUPAC name of calcium;N,N,N',N'-tetramethylethane-1,2-diamine;bis(2,2,6,6-tetramethylpiperidin-1-ide) (CID 139126310) is calcium;N,N,N',N'-tetramethylethane-1,2-diamine;bis(2,2,6,6-tetramethylpiperidin-1-ide).
What is the SMILES notation for calcium;N,N,N',N'-tetramethylethane-1,2-diamine;bis(2,2,6,6-tetramethylpiperidin-1-ide)?
The canonical SMILES for calcium;N,N,N',N'-tetramethylethane-1,2-diamine;bis(2,2,6,6-tetramethylpiperidin-1-ide) is CC1(C)CCCC(C)(C)[N-]1.CC1(C)CCCC(C)(C)[N-]1.CN(C)CCN(C)C.[Ca+2].
What is the InChIKey of calcium;N,N,N',N'-tetramethylethane-1,2-diamine;bis(2,2,6,6-tetramethylpiperidin-1-ide)?
The InChIKey is QDDLXPGOMVOKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N.C6H16N2.Ca/c2*1-8(2)6-5-7-9(3,4)10-8;1-7(2)5-6-8(3)4;/h2*5-7H2,1-4H3;5-6H2,1-4H3;/q2*-1;;+2.
What are the key properties of calcium;N,N,N',N'-tetramethylethane-1,2-diamine;bis(2,2,6,6-tetramethylpiperidin-1-ide)?
calcium;N,N,N',N'-tetramethylethane-1,2-diamine;bis(2,2,6,6-tetramethylpiperidin-1-ide) has a molecular weight of 436.79 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;N,N,N',N'-tetramethylethane-1,2-diamine;bis(2,2,6,6-tetramethylpiperidin-1-ide) is sourced from PubChem (CID 139126310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).