cumene;propan-2-ylcyclohexane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;bis(7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane);2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane;4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine

C125H226N14O6 — CID 158559702

IUPACcumene;propan-2-ylcyclohexane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;bis(7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane);2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane;4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)C1=CCOCC1.CC(C)C1CCCCC1.CC(C)C1CCCNC1.CC(C)C1CCNCC1.CC(C)C1CCOCC1.CC(C)N1CC2(CCCO2)C1.CC(C)N1CCC2(CCNC2)C1.CC(C)N1CCC2(CCOC2)C1.CC(C)N1CCC2(CCOC2)C1.CC(C)N1CCOCC1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1cn[nH]c1
InChIInChI=1S/C10H20N2.2C10H19NO.C9H17NO.C9H18.C9H12.C8H17N.C8H11N.C8H17N.C8H11N.C8H16O.C8H14O.C7H10N2.C7H15NO.C6H10N2/c1-9(2)12-6-4-10(8-12)3-5-11-7-10;2*1-9(2)11-5-3-10(7-11)4-6-12-8-10;1-8(2)10-6-9(7-10)4-3-5-11-9;2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-9-7;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-8-4-6/h9,11H,3-8H2,1-2H3;2*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;3-6H,1-2H3;7H,3-6H2,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyHQSOTOUHDVDRTA-UHFFFAOYSA-N
MW2021.27 g/mol
LogP27.00
Rot. Bonds15

About cumene;propan-2-ylcyclohexane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;bis(7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane);2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane;4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine

cumene;propan-2-ylcyclohexane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;bis(7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane);2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane;4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine (PubChem CID 158559702) has the molecular formula C125H226N14O6 and a molecular weight of 2021.27 g/mol. Its IUPAC name is cumene;propan-2-ylcyclohexane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;bis(7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane);2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane;4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine.

Molecular Properties

Compound Namecumene;propan-2-ylcyclohexane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;bis(7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane);2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane;4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
PubChem CID158559702
Molecular FormulaC125H226N14O6
Molecular Weight2021.27 g/mol
Exact Mass2019.78
IUPAC Namecumene;propan-2-ylcyclohexane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;bis(7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane);2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane;4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)C1=CCOCC1.CC(C)C1CCCCC1.CC(C)C1CCCNC1.CC(C)C1CCNCC1.CC(C)C1CCOCC1.CC(C)N1CC2(CCCO2)C1.CC(C)N1CCC2(CCNC2)C1.CC(C)N1CCC2(CCOC2)C1.CC(C)N1CCC2(CCOC2)C1.CC(C)N1CCOCC1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1cn[nH]c1
InChIInChI=1S/C10H20N2.2C10H19NO.C9H17NO.C9H18.C9H12.C8H17N.C8H11N.C8H17N.C8H11N.C8H16O.C8H14O.C7H10N2.C7H15NO.C6H10N2/c1-9(2)12-6-4-10(8-12)3-5-11-7-10;2*1-9(2)11-5-3-10(7-11)4-6-12-8-10;1-8(2)10-6-9(7-10)4-3-5-11-9;2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-9-7;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-8-4-6/h9,11H,3-8H2,1-2H3;2*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;3-6H,1-2H3;7H,3-6H2,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyHQSOTOUHDVDRTA-UHFFFAOYSA-N
XLogP27.00
TPSA187.91 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002021.27
LogP ≤ 527.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze cumene;propan-2-ylcyclohexane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;bis(7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane);2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane;4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;propan-2-ylcyclohexane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;bis(7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane);2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane;4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The IUPAC name of cumene;propan-2-ylcyclohexane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;bis(7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane);2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane;4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine (CID 158559702) is cumene;propan-2-ylcyclohexane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;bis(7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane);2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane;4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine.
What is the SMILES notation for cumene;propan-2-ylcyclohexane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;bis(7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane);2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane;4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The canonical SMILES for cumene;propan-2-ylcyclohexane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;bis(7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane);2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane;4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine is CC(C)C1=CCOCC1.CC(C)C1CCCCC1.CC(C)C1CCCNC1.CC(C)C1CCNCC1.CC(C)C1CCOCC1.CC(C)N1CC2(CCCO2)C1.CC(C)N1CCC2(CCNC2)C1.CC(C)N1CCC2(CCOC2)C1.CC(C)N1CCC2(CCOC2)C1.CC(C)N1CCOCC1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1cn[nH]c1.
What is the InChIKey of cumene;propan-2-ylcyclohexane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;bis(7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane);2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane;4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The InChIKey is HQSOTOUHDVDRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.2C10H19NO.C9H17NO.C9H18.C9H12.C8H17N.C8H11N.C8H17N.C8H11N.C8H16O.C8H14O.C7H10N2.C7H15NO.C6H10N2/c1-9(2)12-6-4-10(8-12)3-5-11-7-10;2*1-9(2)11-5-3-10(7-11)4-6-12-8-10;1-8(2)10-6-9(7-10)4-3-5-11-9;2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-9-7;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-8-4-6/h9,11H,3-8H2,1-2H3;2*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;3-6H,1-2H3;7H,3-6H2,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of cumene;propan-2-ylcyclohexane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;bis(7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane);2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane;4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
cumene;propan-2-ylcyclohexane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;bis(7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane);2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane;4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine has a molecular weight of 2021.27 g/mol, XLogP of 27.00, 15 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;propan-2-ylcyclohexane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;bis(7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane);2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane;4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 158559702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).