ethane;(2S,6S)-1,2,4,6-tetramethylpiperazine;bis((2S,6R)-1,2,4,6-tetramethylpiperazine)

C26H60N6 — CID 145360216

IUPACethane;(2S,6S)-1,2,4,6-tetramethylpiperazine;bis((2S,6R)-1,2,4,6-tetramethylpiperazine)
SMILESCC.C[C@@H]1CN(C)C[C@H](C)N1C.C[C@@H]1CN(C)C[C@H](C)N1C.C[C@H]1CN(C)C[C@H](C)N1C
InChIInChI=1S/3C8H18N2.C2H6/c3*1-7-5-9(3)6-8(2)10(7)4;1-2/h3*7-8H,5-6H2,1-4H3;1-2H3/t2*7-,8+;7-,8-;/m..0./s1
InChIKeyDZSZONZKQCBNJK-PNZNTYHRSA-N
MW456.81 g/mol
LogP2.95
Rot. Bonds

About ethane;(2S,6S)-1,2,4,6-tetramethylpiperazine;bis((2S,6R)-1,2,4,6-tetramethylpiperazine)

ethane;(2S,6S)-1,2,4,6-tetramethylpiperazine;bis((2S,6R)-1,2,4,6-tetramethylpiperazine) (PubChem CID 145360216) has the molecular formula C26H60N6 and a molecular weight of 456.81 g/mol. Its IUPAC name is ethane;(2S,6S)-1,2,4,6-tetramethylpiperazine;bis((2S,6R)-1,2,4,6-tetramethylpiperazine).

Molecular Properties

Compound Nameethane;(2S,6S)-1,2,4,6-tetramethylpiperazine;bis((2S,6R)-1,2,4,6-tetramethylpiperazine)
PubChem CID145360216
Molecular FormulaC26H60N6
Molecular Weight456.81 g/mol
Exact Mass456.49
IUPAC Nameethane;(2S,6S)-1,2,4,6-tetramethylpiperazine;bis((2S,6R)-1,2,4,6-tetramethylpiperazine)
SMILESCC.C[C@@H]1CN(C)C[C@H](C)N1C.C[C@@H]1CN(C)C[C@H](C)N1C.C[C@H]1CN(C)C[C@H](C)N1C
InChIInChI=1S/3C8H18N2.C2H6/c3*1-7-5-9(3)6-8(2)10(7)4;1-2/h3*7-8H,5-6H2,1-4H3;1-2H3/t2*7-,8+;7-,8-;/m..0./s1
InChIKeyDZSZONZKQCBNJK-PNZNTYHRSA-N
XLogP2.95
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.81
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;(2S,6S)-1,2,4,6-tetramethylpiperazine;bis((2S,6R)-1,2,4,6-tetramethylpiperazine)?
The IUPAC name of ethane;(2S,6S)-1,2,4,6-tetramethylpiperazine;bis((2S,6R)-1,2,4,6-tetramethylpiperazine) (CID 145360216) is ethane;(2S,6S)-1,2,4,6-tetramethylpiperazine;bis((2S,6R)-1,2,4,6-tetramethylpiperazine).
What is the SMILES notation for ethane;(2S,6S)-1,2,4,6-tetramethylpiperazine;bis((2S,6R)-1,2,4,6-tetramethylpiperazine)?
The canonical SMILES for ethane;(2S,6S)-1,2,4,6-tetramethylpiperazine;bis((2S,6R)-1,2,4,6-tetramethylpiperazine) is CC.C[C@@H]1CN(C)C[C@H](C)N1C.C[C@@H]1CN(C)C[C@H](C)N1C.C[C@H]1CN(C)C[C@H](C)N1C.
What is the InChIKey of ethane;(2S,6S)-1,2,4,6-tetramethylpiperazine;bis((2S,6R)-1,2,4,6-tetramethylpiperazine)?
The InChIKey is DZSZONZKQCBNJK-PNZNTYHRSA-N. The full InChI is InChI=1S/3C8H18N2.C2H6/c3*1-7-5-9(3)6-8(2)10(7)4;1-2/h3*7-8H,5-6H2,1-4H3;1-2H3/t2*7-,8+;7-,8-;/m..0./s1.
What are the key properties of ethane;(2S,6S)-1,2,4,6-tetramethylpiperazine;bis((2S,6R)-1,2,4,6-tetramethylpiperazine)?
ethane;(2S,6S)-1,2,4,6-tetramethylpiperazine;bis((2S,6R)-1,2,4,6-tetramethylpiperazine) has a molecular weight of 456.81 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S,6S)-1,2,4,6-tetramethylpiperazine;bis((2S,6R)-1,2,4,6-tetramethylpiperazine) is sourced from PubChem (CID 145360216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).