bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane

C90H209N13O2 — CID 157304328

About bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane

bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane (PubChem CID 157304328) has the molecular formula C90H209N13O2 and a molecular weight of 1505.75 g/mol. Its IUPAC name is bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane.

Molecular Properties

• Compound Name: bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane
• PubChem CID: 157304328
• Molecular Formula: C90H209N13O2
• Molecular Weight: 1505.75 g/mol
• Exact Mass: 1504.67
• IUPAC Name: bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane
• SMILES: C1CCCCC1.C1CCCCC1.C1CCOCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCCCC1.CCN1CCN(C)CC1.CN1CCCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)C1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1
• InChI: InChI=1S/C7H16N2.C7H14.C6H14N2.2C6H13N.2C6H12.2C5H12N2.C5H11NO.2C5H11N.C5H10O.8C2H6/c1-3-9-6-4-8(2)5-7-9;1-7-5-3-2-4-6-7;1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;1-6-3-4-7(2)5-6;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;1-2-4-6-5-3-1;8*1-2/h3-7H2,1-2H3;7H,2-6H2,1H3;3-6H2,1-2H3;2*2-6H2,1H3;2*1-6H2;3-5H2,1-2H3;6H,2-5H2,1H3;2-5H2,1H3;2*2-5H2,1H3;1-5H2;8*1-2H3
• InChIKey: BCGSNIQUTKUUKY-UHFFFAOYSA-N
• XLogP: 19.70
• TPSA: 69.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 1
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1505.75
LogP ≤ 5	19.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane?

The IUPAC name of bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane (CID 157304328) is bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane.

What is the SMILES notation for bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane?

The canonical SMILES for bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane is C1CCCCC1.C1CCCCC1.C1CCOCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCCCC1.CCN1CCN(C)CC1.CN1CCCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)C1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.

What is the InChIKey of bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane?

The InChIKey is BCGSNIQUTKUUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C7H14.C6H14N2.2C6H13N.2C6H12.2C5H12N2.C5H11NO.2C5H11N.C5H10O.8C2H6/c1-3-9-6-4-8(2)5-7-9;1-7-5-3-2-4-6-7;1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;1-6-3-4-7(2)5-6;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;1-2-4-6-5-3-1;8*1-2/h3-7H2,1-2H3;7H,2-6H2,1H3;3-6H2,1-2H3;2*2-6H2,1H3;2*1-6H2;3-5H2,1-2H3;6H,2-5H2,1H3;2-5H2,1H3;2*2-5H2,1H3;1-5H2;8*1-2H3.

What are the key properties of bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane?

bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane has a molecular weight of 1505.75 g/mol, XLogP of 19.70, 1 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane is sourced from PubChem (CID 157304328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).