methane;octakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one)

C73H156N24O8 — CID 159113202

IUPACmethane;octakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one)
SMILESC.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1
InChIInChI=1S/8C9H19N3O.CH4/c8*1-10-7-9(13)8-12-5-3-11(2)4-6-12;/h8*10H,3-8H2,1-2H3;1H4
InChIKeyKETIFTMPEKGTHR-UHFFFAOYSA-N
MW1498.21 g/mol
LogP-7.19
Rot. Bonds32

About methane;octakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one)

methane;octakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one) (PubChem CID 159113202) has the molecular formula C73H156N24O8 and a molecular weight of 1498.21 g/mol. Its IUPAC name is methane;octakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one).

Molecular Properties

Compound Namemethane;octakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one)
PubChem CID159113202
Molecular FormulaC73H156N24O8
Molecular Weight1498.21 g/mol
Exact Mass1497.25
IUPAC Namemethane;octakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one)
SMILESC.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1
InChIInChI=1S/8C9H19N3O.CH4/c8*1-10-7-9(13)8-12-5-3-11(2)4-6-12;/h8*10H,3-8H2,1-2H3;1H4
InChIKeyKETIFTMPEKGTHR-UHFFFAOYSA-N
XLogP-7.19
TPSA284.64 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001498.21
LogP ≤ 5-7.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

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Related Compounds

1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one
CID 157373064
1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(213C)propan-2-(18O)one;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one;1-(4-methylpiperazin-1-yl)(213C)propan-2-(18O)one
CID 157373065
CID 157373066
CID 157373066
1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one;1-(4-methylpiperazin-1-yl)(213C)propan-2-(18O)one
CID 157373067
methane;1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one
CID 158315070
Methane;hexakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one)
CID 158535643
bis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one)
CID 158557490
1-((1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;1-((1,4-15N2)1,4-diazinan-1-yl)(213C)propan-2-one;1-piperazin-1-yl(113C)propan-2-(18O)one;1-piperazin-1-yl(213C)propan-2-(18O)one
CID 158557491
1-(Methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one
CID 158995902
1-(Methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one
CID 159023353
1-(Methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one
CID 159365572
1-(Methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one
CID 159447623

Frequently Asked Questions

What is the IUPAC name of methane;octakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one)?
The IUPAC name of methane;octakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one) (CID 159113202) is methane;octakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one).
What is the SMILES notation for methane;octakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one)?
The canonical SMILES for methane;octakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one) is C.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.
What is the InChIKey of methane;octakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one)?
The InChIKey is KETIFTMPEKGTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/8C9H19N3O.CH4/c8*1-10-7-9(13)8-12-5-3-11(2)4-6-12;/h8*10H,3-8H2,1-2H3;1H4.
What are the key properties of methane;octakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one)?
methane;octakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one) has a molecular weight of 1498.21 g/mol, XLogP of -7.19, 32 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for methane;octakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one) is sourced from PubChem (CID 159113202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).