methane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrole-2,5-dione;1-methylpyrrolidine

C22H44N4O3 — CID 158818111

IUPACmethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrole-2,5-dione;1-methylpyrrolidine
SMILESC.CN1C(=O)C=CC1=O.CN1CCCC1.CN1CCCCC1.CN1CCOCC1
InChIInChI=1S/C6H13N.C5H5NO2.C5H11NO.C5H11N.CH4/c1-7-5-3-2-4-6-7;1-6-4(7)2-3-5(6)8;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;/h2-6H2,1H3;2-3H,1H3;2-5H2,1H3;2-5H2,1H3;1H4
InChIKeyIVNJBHMMJJYAKM-UHFFFAOYSA-N
MW412.62 g/mol
LogP1.94
Rot. Bonds

About methane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrole-2,5-dione;1-methylpyrrolidine

methane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrole-2,5-dione;1-methylpyrrolidine (PubChem CID 158818111) has the molecular formula C22H44N4O3 and a molecular weight of 412.62 g/mol. Its IUPAC name is methane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrole-2,5-dione;1-methylpyrrolidine.

Molecular Properties

Compound Namemethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrole-2,5-dione;1-methylpyrrolidine
PubChem CID158818111
Molecular FormulaC22H44N4O3
Molecular Weight412.62 g/mol
Exact Mass412.34
IUPAC Namemethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrole-2,5-dione;1-methylpyrrolidine
SMILESC.CN1C(=O)C=CC1=O.CN1CCCC1.CN1CCCCC1.CN1CCOCC1
InChIInChI=1S/C6H13N.C5H5NO2.C5H11NO.C5H11N.CH4/c1-7-5-3-2-4-6-7;1-6-4(7)2-3-5(6)8;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;/h2-6H2,1H3;2-3H,1H3;2-5H2,1H3;2-5H2,1H3;1H4
InChIKeyIVNJBHMMJJYAKM-UHFFFAOYSA-N
XLogP1.94
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,4-dimethylpiperazine;methanamine;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine
CID 158044460
4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide
CID 160805955
6-methyl-1-oxa-6-azacycloundecane
CID 123668114
ethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+)
CID 159887928
7-methyl-1,4,7-dioxazecane
CID 59020799
5-methyl-1-oxa-5-azacycloundecane
CID 123548674
methane;1-methylazetidine;4-methylmorpholine;3-methyl-1,3-oxazolidine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine
CID 158354923
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
ethane;4-methylmorpholine
CID 54432133
methane;1-methylpiperidine;bis(1-methylpyrrolidine)
CID 158442091
methane;tris(1-methylpiperidine)
CID 162076357
lithium;4-methylmorpholine;chloride
CID 172748649

Frequently Asked Questions

What is the IUPAC name of methane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrole-2,5-dione;1-methylpyrrolidine?
The IUPAC name of methane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrole-2,5-dione;1-methylpyrrolidine (CID 158818111) is methane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrole-2,5-dione;1-methylpyrrolidine.
What is the SMILES notation for methane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrole-2,5-dione;1-methylpyrrolidine?
The canonical SMILES for methane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrole-2,5-dione;1-methylpyrrolidine is C.CN1C(=O)C=CC1=O.CN1CCCC1.CN1CCCCC1.CN1CCOCC1.
What is the InChIKey of methane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrole-2,5-dione;1-methylpyrrolidine?
The InChIKey is IVNJBHMMJJYAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H5NO2.C5H11NO.C5H11N.CH4/c1-7-5-3-2-4-6-7;1-6-4(7)2-3-5(6)8;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;/h2-6H2,1H3;2-3H,1H3;2-5H2,1H3;2-5H2,1H3;1H4.
What are the key properties of methane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrole-2,5-dione;1-methylpyrrolidine?
methane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrole-2,5-dione;1-methylpyrrolidine has a molecular weight of 412.62 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrole-2,5-dione;1-methylpyrrolidine is sourced from PubChem (CID 158818111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).