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

C65H148N32O8 — CID 158683385

IUPACmethane;octakis(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
InChIInChI=1S/8C8H18N4O.CH4/c8*1-9-10-8(13)7-12-5-3-11(2)4-6-12;/h8*9H,3-7H2,1-2H3,(H,10,13);1H4
InChIKeyIFKPFVZVETUTEO-UHFFFAOYSA-N
MW1506.11 g/mol
LogP-11.49
Rot. Bonds24

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

methane;octakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide) (PubChem CID 158683385) has the molecular formula C65H148N32O8 and a molecular weight of 1506.11 g/mol. Its IUPAC name is methane;octakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide).

Molecular Properties

Compound Namemethane;octakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)
PubChem CID158683385
Molecular FormulaC65H148N32O8
Molecular Weight1506.11 g/mol
Exact Mass1505.22
IUPAC Namemethane;octakis(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
InChIInChI=1S/8C8H18N4O.CH4/c8*1-9-10-8(13)7-12-5-3-11(2)4-6-12;/h8*9H,3-7H2,1-2H3,(H,10,13);1H4
InChIKeyIFKPFVZVETUTEO-UHFFFAOYSA-N
XLogP-11.49
TPSA380.88 Ų
H-Bond Donors16
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001506.11
LogP ≤ 5-11.49
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1032

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
N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide
CID 159512084
methane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)
CID 160986951
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;octakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)?
The IUPAC name of methane;octakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide) (CID 158683385) is methane;octakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide).
What is the SMILES notation for methane;octakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)?
The canonical SMILES for methane;octakis(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.
What is the InChIKey of methane;octakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)?
The InChIKey is IFKPFVZVETUTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/8C8H18N4O.CH4/c8*1-9-10-8(13)7-12-5-3-11(2)4-6-12;/h8*9H,3-7H2,1-2H3,(H,10,13);1H4.
What are the key properties of methane;octakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)?
methane;octakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide) has a molecular weight of 1506.11 g/mol, XLogP of -11.49, 24 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for methane;octakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide) is sourced from PubChem (CID 158683385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).