methane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)

C97H220N48O12 — CID 160986951

IUPACmethane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)
SMILESC.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1
InChIInChI=1S/12C8H18N4O.CH4/c12*1-9-10-8(13)7-12-5-3-11(2)4-6-12;/h12*9H,3-7H2,1-2H3,(H,10,13);1H4
InChIKeyTUCHGRZZCHCBLI-UHFFFAOYSA-N
MW2251.15 g/mol
LogP-17.55
Rot. Bonds36

About methane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)

methane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide) (PubChem CID 160986951) has the molecular formula C97H220N48O12 and a molecular weight of 2251.15 g/mol. Its IUPAC name is methane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide).

Molecular Properties

Compound Namemethane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)
PubChem CID160986951
Molecular FormulaC97H220N48O12
Molecular Weight2251.15 g/mol
Exact Mass2249.81
IUPAC Namemethane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)
SMILESC.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1
InChIInChI=1S/12C8H18N4O.CH4/c12*1-9-10-8(13)7-12-5-3-11(2)4-6-12;/h12*9H,3-7H2,1-2H3,(H,10,13);1H4
InChIKeyTUCHGRZZCHCBLI-UHFFFAOYSA-N
XLogP-17.55
TPSA571.32 Ų
H-Bond Donors24
H-Bond Acceptors48
Rotatable Bonds36
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002251.15
LogP ≤ 5-17.55
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methane;tris(N-methyl-2-(4-methylpiperazin-1-yl)acetamide);2-(4-methylpiperazin-1-yl)acetohydrazide
CID 157091663
methane;octakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)
CID 158683385
N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide
CID 159512084
methane;hexakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)
CID 161694149
N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide
CID 162016115

Frequently Asked Questions

What is the IUPAC name of methane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)?
The IUPAC name of methane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide) (CID 160986951) is methane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide).
What is the SMILES notation for methane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)?
The canonical SMILES for methane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide) is C.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.
What is the InChIKey of methane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)?
The InChIKey is TUCHGRZZCHCBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/12C8H18N4O.CH4/c12*1-9-10-8(13)7-12-5-3-11(2)4-6-12;/h12*9H,3-7H2,1-2H3,(H,10,13);1H4.
What are the key properties of methane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)?
methane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide) has a molecular weight of 2251.15 g/mol, XLogP of -17.55, 36 rotatable bonds, 24 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for methane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide) is sourced from PubChem (CID 160986951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).