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

C55H118N18O6 — CID 158535643

IUPACmethane;hexakis(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
InChIInChI=1S/6C9H19N3O.CH4/c6*1-10-7-9(13)8-12-5-3-11(2)4-6-12;/h6*10H,3-8H2,1-2H3;1H4
InChIKeyHNXJNHDNQNKZIN-UHFFFAOYSA-N
MW1127.67 g/mol
LogP-5.23
Rot. Bonds24

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

methane;hexakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one) (PubChem CID 158535643) has the molecular formula C55H118N18O6 and a molecular weight of 1127.67 g/mol. Its IUPAC name is methane;hexakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one).

Molecular Properties

Compound Namemethane;hexakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one)
PubChem CID158535643
Molecular FormulaC55H118N18O6
Molecular Weight1127.67 g/mol
Exact Mass1126.95
IUPAC Namemethane;hexakis(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
InChIInChI=1S/6C9H19N3O.CH4/c6*1-10-7-9(13)8-12-5-3-11(2)4-6-12;/h6*10H,3-8H2,1-2H3;1H4
InChIKeyHNXJNHDNQNKZIN-UHFFFAOYSA-N
XLogP-5.23
TPSA213.48 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001127.67
LogP ≤ 5-5.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

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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
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
Methane;octakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one)
CID 159113202
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;hexakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one)?
The IUPAC name of methane;hexakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one) (CID 158535643) is methane;hexakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one).
What is the SMILES notation for methane;hexakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one)?
The canonical SMILES for methane;hexakis(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.
What is the InChIKey of methane;hexakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one)?
The InChIKey is HNXJNHDNQNKZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/6C9H19N3O.CH4/c6*1-10-7-9(13)8-12-5-3-11(2)4-6-12;/h6*10H,3-8H2,1-2H3;1H4.
What are the key properties of methane;hexakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one)?
methane;hexakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one) has a molecular weight of 1127.67 g/mol, XLogP of -5.23, 24 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for methane;hexakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one) is sourced from PubChem (CID 158535643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).