cumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(2-methylpropyl)-1,3-dioxolane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;3-methylbutan-2-one;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;3-(3-methylbutyl)oxetane;3-(3-methylbutyl)oxolane;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(3-methylbutyl)piperidine;methyl 2-methylpropanoate;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine

C239H484F5N15O19 — CID 158093941

IUPACcumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(2-methylpropyl)-1,3-dioxolane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;3-methylbutan-2-one;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;3-(3-methylbutyl)oxetane;3-(3-methylbutyl)oxolane;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(3-methylbutyl)piperidine;methyl 2-methylpropanoate;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine
SMILESCC(=O)C(C)C.CC(C)C1COC1.CC(C)CC(C)(C)O.CC(C)CC(C)(F)F.CC(C)CC(C)F.CC(C)CC1CC1.CC(C)CC1CCN(C)CC1.CC(C)CC1CCOC1.CC(C)CC1CCOCC1.CC(C)CC1COC(C)(C)O1.CC(C)CC1COC1.CC(C)CCC1CCOC1.CC(C)CCC1CCOCC1.CC(C)CCC1COC(C)(C)O1.CC(C)CCC1COC1.CC(C)CCCN1CCOCC1.CC(C)CCN1CCC(F)(F)C1.CC(C)CCN1CCC(O)C1.CC(C)CCN1CCCC(C)C1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCOCC1.CC(C)CCO.CC(C)CCn1ccnc1.CC(C)N1CCN(C)CC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CCN(CC)CCCC(C)C.CCN(CC)CCCCC(C)C.COC(=O)C(C)C
InChIInChI=1S/C11H23N.C11H25N.C10H22N2.C10H21NO.C10H21N.C10H23N.C10H20O2.C10H20O.C9H17F2N.2C9H19NO.C9H18O2.2C9H18O.C9H12.C8H18N2.C8H14N2.C8H11N.2C8H16O.C7H14O.C7H16O.C7H14.C6H12F2.C6H13F.C6H12O.C5H10O2.C5H12O.C5H10O/c1-10(2)6-8-12-7-4-5-11(3)9-12;1-5-12(6-2)10-8-7-9-11(3)4;1-10(2)4-5-12-8-6-11(3)7-9-12;1-10(2)4-3-5-11-6-8-12-9-7-11;1-9(2)8-10-4-6-11(3)7-5-10;1-5-11(6-2)9-7-8-10(3)4;1-8(2)5-6-9-7-11-10(3,4)12-9;1-9(2)3-4-10-5-7-11-8-6-10;1-8(2)3-5-12-6-4-9(10,11)7-12;1-8(2)3-5-10-6-4-9(11)7-10;1-9(2)3-4-10-5-7-11-8-6-10;1-7(2)5-8-6-10-9(3,4)11-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)3-4-9-5-6-10-7-9;1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)3-5-10-6-4-9-7-10;1-7(2)8-5-3-4-6-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)3-4-8-5-9-6-8;1-6(2)3-7-4-8-5-7;1-6(2)5-7(3,4)8;1-6(2)5-7-3-4-7;1-5(2)4-6(3,7)8;1-5(2)4-6(3)7;1-5(2)6-3-7-4-6;1-4(2)5(6)7-3;1-5(2)3-4-6;1-4(2)5(3)6/h10-11H,4-9H2,1-3H3;11H,5-10H2,1-4H3;10H,4-9H2,1-3H3;10H,3-9H2,1-2H3;9-10H,4-8H2,1-3H3;10H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;8-9,11H,3-7H2,1-2H3;9H,3-8H2,1-2H3;7-8H,5-6H2,1-4H3;2*8-9H,3-7H2,1-2H3;3-8H,1-2H3;8H,4-7H2,1-3H3;4,6-8H,3,5H2,1-2H3;3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6,8H,5H2,1-4H3;6-7H,3-5H2,1-2H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3;5-6H,3-4H2,1-2H3;4H,1-3H3;5-6H,3-4H2,1-2H3;4H,1-3H3
InChIKeyFOLDKFNHNYVQIL-UHFFFAOYSA-N
MW3967.58 g/mol
LogP58.54
Rot. Bonds73

About cumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(2-methylpropyl)-1,3-dioxolane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;3-methylbutan-2-one;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;3-(3-methylbutyl)oxetane;3-(3-methylbutyl)oxolane;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(3-methylbutyl)piperidine;methyl 2-methylpropanoate;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine

cumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(2-methylpropyl)-1,3-dioxolane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;3-methylbutan-2-one;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;3-(3-methylbutyl)oxetane;3-(3-methylbutyl)oxolane;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(3-methylbutyl)piperidine;methyl 2-methylpropanoate;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine (PubChem CID 158093941) has the molecular formula C239H484F5N15O19 and a molecular weight of 3967.58 g/mol. Its IUPAC name is cumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(2-methylpropyl)-1,3-dioxolane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;3-methylbutan-2-one;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;3-(3-methylbutyl)oxetane;3-(3-methylbutyl)oxolane;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(3-methylbutyl)piperidine;methyl 2-methylpropanoate;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine.

Molecular Properties

Compound Namecumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(2-methylpropyl)-1,3-dioxolane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;3-methylbutan-2-one;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;3-(3-methylbutyl)oxetane;3-(3-methylbutyl)oxolane;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(3-methylbutyl)piperidine;methyl 2-methylpropanoate;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine
PubChem CID158093941
Molecular FormulaC239H484F5N15O19
Molecular Weight3967.58 g/mol
Exact Mass3964.73
IUPAC Namecumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(2-methylpropyl)-1,3-dioxolane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;3-methylbutan-2-one;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;3-(3-methylbutyl)oxetane;3-(3-methylbutyl)oxolane;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(3-methylbutyl)piperidine;methyl 2-methylpropanoate;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine
SMILESCC(=O)C(C)C.CC(C)C1COC1.CC(C)CC(C)(C)O.CC(C)CC(C)(F)F.CC(C)CC(C)F.CC(C)CC1CC1.CC(C)CC1CCN(C)CC1.CC(C)CC1CCOC1.CC(C)CC1CCOCC1.CC(C)CC1COC(C)(C)O1.CC(C)CC1COC1.CC(C)CCC1CCOC1.CC(C)CCC1CCOCC1.CC(C)CCC1COC(C)(C)O1.CC(C)CCC1COC1.CC(C)CCCN1CCOCC1.CC(C)CCN1CCC(F)(F)C1.CC(C)CCN1CCC(O)C1.CC(C)CCN1CCCC(C)C1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCOCC1.CC(C)CCO.CC(C)CCn1ccnc1.CC(C)N1CCN(C)CC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CCN(CC)CCCC(C)C.CCN(CC)CCCCC(C)C.COC(=O)C(C)C
InChIInChI=1S/C11H23N.C11H25N.C10H22N2.C10H21NO.C10H21N.C10H23N.C10H20O2.C10H20O.C9H17F2N.2C9H19NO.C9H18O2.2C9H18O.C9H12.C8H18N2.C8H14N2.C8H11N.2C8H16O.C7H14O.C7H16O.C7H14.C6H12F2.C6H13F.C6H12O.C5H10O2.C5H12O.C5H10O/c1-10(2)6-8-12-7-4-5-11(3)9-12;1-5-12(6-2)10-8-7-9-11(3)4;1-10(2)4-5-12-8-6-11(3)7-9-12;1-10(2)4-3-5-11-6-8-12-9-7-11;1-9(2)8-10-4-6-11(3)7-5-10;1-5-11(6-2)9-7-8-10(3)4;1-8(2)5-6-9-7-11-10(3,4)12-9;1-9(2)3-4-10-5-7-11-8-6-10;1-8(2)3-5-12-6-4-9(10,11)7-12;1-8(2)3-5-10-6-4-9(11)7-10;1-9(2)3-4-10-5-7-11-8-6-10;1-7(2)5-8-6-10-9(3,4)11-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)3-4-9-5-6-10-7-9;1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)3-5-10-6-4-9-7-10;1-7(2)8-5-3-4-6-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)3-4-8-5-9-6-8;1-6(2)3-7-4-8-5-7;1-6(2)5-7(3,4)8;1-6(2)5-7-3-4-7;1-5(2)4-6(3,7)8;1-5(2)4-6(3)7;1-5(2)6-3-7-4-6;1-4(2)5(6)7-3;1-5(2)3-4-6;1-4(2)5(3)6/h10-11H,4-9H2,1-3H3;11H,5-10H2,1-4H3;10H,4-9H2,1-3H3;10H,3-9H2,1-2H3;9-10H,4-8H2,1-3H3;10H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;8-9,11H,3-7H2,1-2H3;9H,3-8H2,1-2H3;7-8H,5-6H2,1-4H3;2*8-9H,3-7H2,1-2H3;3-8H,1-2H3;8H,4-7H2,1-3H3;4,6-8H,3,5H2,1-2H3;3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6,8H,5H2,1-4H3;6-7H,3-5H2,1-2H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3;5-6H,3-4H2,1-2H3;4H,1-3H3;5-6H,3-4H2,1-2H3;4H,1-3H3
InChIKeyFOLDKFNHNYVQIL-UHFFFAOYSA-N
XLogP58.54
TPSA293.64 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds73
Heavy Atoms278
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003967.58
LogP ≤ 558.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze cumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(2-methylpropyl)-1,3-dioxolane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;3-methylbutan-2-one;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;3-(3-methylbutyl)oxetane;3-(3-methylbutyl)oxolane;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(3-methylbutyl)piperidine;methyl 2-methylpropanoate;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine with MolForge

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Related Compounds

cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-6-methylheptan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;3-methyl-1-(3-methylbutyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;2-propan-2-ylpyridine
CID 157656836
cumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,3-dimethylbut-1-ene;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;3-(3-methylbutyl)oxetane;3-(3-methylbutyl)oxolane;1-(3-methylbutyl)piperidin-3-ol;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine
CID 158085138
cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;3-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine
CID 159110459
cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine
CID 159629794
cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-6-methylheptan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine
CID 159634347
cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;2-propan-2-ylpyridine
CID 159936926
cumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(3-methylbutyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;2-propan-2-ylpyridine
CID 160342756
cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;4,4-difluoro-1-(3-methylbutyl)piperidine;2,6-dimethyl-4-(3-methylbutyl)morpholine;4-(2,4-dimethylpentan-2-yl)morpholine;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(4-methylpentyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidin-2-one;1-methyl-4-propan-2-ylpiperazine;2-(2-methylpropyl)oxolane;4-propan-2-yloxane;3-propan-2-yloxetane;3-propan-2-yloxolane;2-propan-2-ylpyridine;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine
CID 161202418
cumene;N,N-diethyl-3-methylbutan-1-amine;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,4-dimethylpentan-2-ol;3-fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine;2-fluoro-4-methylpentane;3-methylbutan-1-ol;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)-4-(oxetan-3-yl)piperazine;1-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperazine;2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-2-ol;3-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;3-(2-methylpropyl)oxolane;2-propan-2-ylpyridine
CID 162123299

Frequently Asked Questions

What is the IUPAC name of cumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(2-methylpropyl)-1,3-dioxolane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;3-methylbutan-2-one;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;3-(3-methylbutyl)oxetane;3-(3-methylbutyl)oxolane;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(3-methylbutyl)piperidine;methyl 2-methylpropanoate;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine?
The IUPAC name of cumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(2-methylpropyl)-1,3-dioxolane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;3-methylbutan-2-one;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;3-(3-methylbutyl)oxetane;3-(3-methylbutyl)oxolane;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(3-methylbutyl)piperidine;methyl 2-methylpropanoate;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine (CID 158093941) is cumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(2-methylpropyl)-1,3-dioxolane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;3-methylbutan-2-one;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;3-(3-methylbutyl)oxetane;3-(3-methylbutyl)oxolane;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(3-methylbutyl)piperidine;methyl 2-methylpropanoate;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine.
What is the SMILES notation for cumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(2-methylpropyl)-1,3-dioxolane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;3-methylbutan-2-one;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;3-(3-methylbutyl)oxetane;3-(3-methylbutyl)oxolane;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(3-methylbutyl)piperidine;methyl 2-methylpropanoate;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine?
The canonical SMILES for cumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(2-methylpropyl)-1,3-dioxolane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;3-methylbutan-2-one;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;3-(3-methylbutyl)oxetane;3-(3-methylbutyl)oxolane;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(3-methylbutyl)piperidine;methyl 2-methylpropanoate;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine is CC(=O)C(C)C.CC(C)C1COC1.CC(C)CC(C)(C)O.CC(C)CC(C)(F)F.CC(C)CC(C)F.CC(C)CC1CC1.CC(C)CC1CCN(C)CC1.CC(C)CC1CCOC1.CC(C)CC1CCOCC1.CC(C)CC1COC(C)(C)O1.CC(C)CC1COC1.CC(C)CCC1CCOC1.CC(C)CCC1CCOCC1.CC(C)CCC1COC(C)(C)O1.CC(C)CCC1COC1.CC(C)CCCN1CCOCC1.CC(C)CCN1CCC(F)(F)C1.CC(C)CCN1CCC(O)C1.CC(C)CCN1CCCC(C)C1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCOCC1.CC(C)CCO.CC(C)CCn1ccnc1.CC(C)N1CCN(C)CC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CCN(CC)CCCC(C)C.CCN(CC)CCCCC(C)C.COC(=O)C(C)C.
What is the InChIKey of cumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(2-methylpropyl)-1,3-dioxolane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;3-methylbutan-2-one;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;3-(3-methylbutyl)oxetane;3-(3-methylbutyl)oxolane;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(3-methylbutyl)piperidine;methyl 2-methylpropanoate;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine?
The InChIKey is FOLDKFNHNYVQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C11H25N.C10H22N2.C10H21NO.C10H21N.C10H23N.C10H20O2.C10H20O.C9H17F2N.2C9H19NO.C9H18O2.2C9H18O.C9H12.C8H18N2.C8H14N2.C8H11N.2C8H16O.C7H14O.C7H16O.C7H14.C6H12F2.C6H13F.C6H12O.C5H10O2.C5H12O.C5H10O/c1-10(2)6-8-12-7-4-5-11(3)9-12;1-5-12(6-2)10-8-7-9-11(3)4;1-10(2)4-5-12-8-6-11(3)7-9-12;1-10(2)4-3-5-11-6-8-12-9-7-11;1-9(2)8-10-4-6-11(3)7-5-10;1-5-11(6-2)9-7-8-10(3)4;1-8(2)5-6-9-7-11-10(3,4)12-9;1-9(2)3-4-10-5-7-11-8-6-10;1-8(2)3-5-12-6-4-9(10,11)7-12;1-8(2)3-5-10-6-4-9(11)7-10;1-9(2)3-4-10-5-7-11-8-6-10;1-7(2)5-8-6-10-9(3,4)11-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)3-4-9-5-6-10-7-9;1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)3-5-10-6-4-9-7-10;1-7(2)8-5-3-4-6-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)3-4-8-5-9-6-8;1-6(2)3-7-4-8-5-7;1-6(2)5-7(3,4)8;1-6(2)5-7-3-4-7;1-5(2)4-6(3,7)8;1-5(2)4-6(3)7;1-5(2)6-3-7-4-6;1-4(2)5(6)7-3;1-5(2)3-4-6;1-4(2)5(3)6/h10-11H,4-9H2,1-3H3;11H,5-10H2,1-4H3;10H,4-9H2,1-3H3;10H,3-9H2,1-2H3;9-10H,4-8H2,1-3H3;10H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;8-9,11H,3-7H2,1-2H3;9H,3-8H2,1-2H3;7-8H,5-6H2,1-4H3;2*8-9H,3-7H2,1-2H3;3-8H,1-2H3;8H,4-7H2,1-3H3;4,6-8H,3,5H2,1-2H3;3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6,8H,5H2,1-4H3;6-7H,3-5H2,1-2H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3;5-6H,3-4H2,1-2H3;4H,1-3H3;5-6H,3-4H2,1-2H3;4H,1-3H3.
What are the key properties of cumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(2-methylpropyl)-1,3-dioxolane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;3-methylbutan-2-one;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;3-(3-methylbutyl)oxetane;3-(3-methylbutyl)oxolane;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(3-methylbutyl)piperidine;methyl 2-methylpropanoate;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine?
cumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(2-methylpropyl)-1,3-dioxolane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;3-methylbutan-2-one;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;3-(3-methylbutyl)oxetane;3-(3-methylbutyl)oxolane;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(3-methylbutyl)piperidine;methyl 2-methylpropanoate;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine has a molecular weight of 3967.58 g/mol, XLogP of 58.54, 73 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;N,N-diethyl-5-methylhexan-1-amine;N,N-diethyl-4-methylpentan-1-amine;3,3-difluoro-1-(3-methylbutyl)pyrrolidine;2,2-difluoro-4-methylpentane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(2-methylpropyl)-1,3-dioxolane;2,4-dimethylpentan-2-ol;2-fluoro-4-methylpentane;3-methylbutan-1-ol;3-methylbutan-2-one;1-(3-methylbutyl)imidazole;4-(3-methylbutyl)morpholine;4-(3-methylbutyl)oxane;3-(3-methylbutyl)oxetane;3-(3-methylbutyl)oxolane;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(3-methylbutyl)piperidine;methyl 2-methylpropanoate;1-methyl-4-(2-methylpropyl)piperidine;4-(4-methylpentyl)morpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;3-propan-2-yloxetane;2-propan-2-ylpyridine is sourced from PubChem (CID 158093941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).