1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine

C30H60N8O — CID 158864257

IUPAC1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine
SMILESCN1CCCC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.Cn1cccc1.Cn1ccnc1
InChIInChI=1S/C6H13N.C5H12N2.C5H11NO.C5H11N.C5H7N.C4H6N2/c1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;1-6-3-2-5-4-6/h2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;2-5H,1H3;2-4H,1H3
InChIKeyJBAMGILIYGQVGI-UHFFFAOYSA-N
MW548.87 g/mol
LogP2.73
Rot. Bonds

About 1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine

1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine (PubChem CID 158864257) has the molecular formula C30H60N8O and a molecular weight of 548.87 g/mol. Its IUPAC name is 1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine.

Molecular Properties

Compound Name1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine
PubChem CID158864257
Molecular FormulaC30H60N8O
Molecular Weight548.87 g/mol
Exact Mass548.49
IUPAC Name1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine
SMILESCN1CCCC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.Cn1cccc1.Cn1ccnc1
InChIInChI=1S/C6H13N.C5H12N2.C5H11NO.C5H11N.C5H7N.C4H6N2/c1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;1-6-3-2-5-4-6/h2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;2-5H,1H3;2-4H,1H3
InChIKeyJBAMGILIYGQVGI-UHFFFAOYSA-N
XLogP2.73
TPSA56.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.87
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine?
The IUPAC name of 1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine (CID 158864257) is 1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine.
What is the SMILES notation for 1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine?
The canonical SMILES for 1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine is CN1CCCC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.Cn1cccc1.Cn1ccnc1.
What is the InChIKey of 1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine?
The InChIKey is JBAMGILIYGQVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H12N2.C5H11NO.C5H11N.C5H7N.C4H6N2/c1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;1-6-3-2-5-4-6/h2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;2-5H,1H3;2-4H,1H3.
What are the key properties of 1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine?
1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine has a molecular weight of 548.87 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine is sourced from PubChem (CID 158864257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).