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

C209H427F2N23O11 — CID 161202418

About 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

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 (PubChem CID 161202418) has the molecular formula C209H427F2N23O11 and a molecular weight of 3476.86 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161202418
• Molecular Formula: C209H427F2N23O11
• Molecular Weight: 3476.86 g/mol
• Exact Mass: 3474.35
• IUPAC Name: 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
• SMILES: CC(=O)N1CCN(CCC(C)C)CC1.CC(C)C1CCOC1.CC(C)C1CCOCC1.CC(C)C1COC1.CC(C)CC(C)(C)N1CCOCC1.CC(C)CC1CCCO1.CC(C)CCCN(C)C.CC(C)CCCN1CCCC1=O.CC(C)CCCN1CCN(C)CC1.CC(C)CCCN1CCOCC1.CC(C)CCN(C)C.CC(C)CCN1CC(C)OC(C)C1.CC(C)CCN1CCC(F)(F)CC1.CC(C)CCN1CCCC1=O.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCOCC1.CC(C)CCn1ccnc1.CC(C)N1CCN(C)CC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CCN(CC)CCC(C)C.CCN(CC)CCCC(C)C.CCN(CC)CCCCC(C)C
• InChI: InChI=1S/C11H22N2O.C11H24N2.2C11H23NO.C11H25N.C10H19F2N.C10H22N2.C10H19NO.C10H21NO.C10H23N.C9H19NO.C9H17NO.C9H21N.C9H12.C8H18N2.C8H14N2.C8H11N.C8H19N.2C8H16O.C7H17N.C7H14O.C6H12O/c1-10(2)4-5-12-6-8-13(9-7-12)11(3)14;1-11(2)5-4-6-13-9-7-12(3)8-10-13;1-10(2)9-11(3,4)12-5-7-13-8-6-12;1-9(2)5-6-12-7-10(3)13-11(4)8-12;1-5-12(6-2)10-8-7-9-11(3)4;1-9(2)3-6-13-7-4-10(11,12)5-8-13;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)5-3-7-11-8-4-6-10(11)12;1-10(2)4-3-5-11-6-8-12-9-7-11;1-5-11(6-2)9-7-8-10(3)4;1-9(2)3-4-10-5-7-11-8-6-10;1-8(2)5-7-10-6-3-4-9(10)11;1-5-10(6-2)8-7-9(3)4;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;1-8(2)6-5-7-9(3)4;1-7(2)8-3-5-9-6-4-8;1-7(2)6-8-4-3-5-9-8;1-7(2)5-6-8(3)4;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-6/h10H,4-9H2,1-3H3;11H,4-10H2,1-3H3;10H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;11H,5-10H2,1-4H3;9H,3-8H2,1-2H3;10H,4-9H2,1-3H3;9H,3-8H2,1-2H3;10H,3-9H2,1-2H3;10H,5-9H2,1-4H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;9H,5-8H2,1-4H3;3-8H,1-2H3;8H,4-7H2,1-3H3;4,6-8H,3,5H2,1-2H3;3-7H,1-2H3;8H,5-7H2,1-4H3;2*7-8H,3-6H2,1-2H3;7H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
• InChIKey: UVDUBBDPZLWIAZ-UHFFFAOYSA-N
• XLogP: 44.72
• TPSA: 220.56 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 69
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3476.86
LogP ≤ 5	44.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(=O)N1CCN(CCC(C)C)CC1.CC(C)C1CCOC1.CC(C)C1CCOCC1.CC(C)C1COC1.CC(C)CC(C)(C)N1CCOCC1.CC(C)CC1CCCO1.CC(C)CCCN(C)C.CC(C)CCCN1CCCC1=O.CC(C)CCCN1CCN(C)CC1.CC(C)CCCN1CCOCC1.CC(C)CCN(C)C.CC(C)CCN1CC(C)OC(C)C1.CC(C)CCN1CCC(F)(F)CC1.CC(C)CCN1CCCC1=O.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCOCC1.CC(C)CCn1ccnc1.CC(C)N1CCN(C)CC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CCN(CC)CCC(C)C.CCN(CC)CCCC(C)C.CCN(CC)CCCCC(C)C.

What is the InChIKey of 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?

The InChIKey is UVDUBBDPZLWIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C11H24N2.2C11H23NO.C11H25N.C10H19F2N.C10H22N2.C10H19NO.C10H21NO.C10H23N.C9H19NO.C9H17NO.C9H21N.C9H12.C8H18N2.C8H14N2.C8H11N.C8H19N.2C8H16O.C7H17N.C7H14O.C6H12O/c1-10(2)4-5-12-6-8-13(9-7-12)11(3)14;1-11(2)5-4-6-13-9-7-12(3)8-10-13;1-10(2)9-11(3,4)12-5-7-13-8-6-12;1-9(2)5-6-12-7-10(3)13-11(4)8-12;1-5-12(6-2)10-8-7-9-11(3)4;1-9(2)3-6-13-7-4-10(11,12)5-8-13;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)5-3-7-11-8-4-6-10(11)12;1-10(2)4-3-5-11-6-8-12-9-7-11;1-5-11(6-2)9-7-8-10(3)4;1-9(2)3-4-10-5-7-11-8-6-10;1-8(2)5-7-10-6-3-4-9(10)11;1-5-10(6-2)8-7-9(3)4;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;1-8(2)6-5-7-9(3)4;1-7(2)8-3-5-9-6-4-8;1-7(2)6-8-4-3-5-9-8;1-7(2)5-6-8(3)4;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-6/h10H,4-9H2,1-3H3;11H,4-10H2,1-3H3;10H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;11H,5-10H2,1-4H3;9H,3-8H2,1-2H3;10H,4-9H2,1-3H3;9H,3-8H2,1-2H3;10H,3-9H2,1-2H3;10H,5-9H2,1-4H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;9H,5-8H2,1-4H3;3-8H,1-2H3;8H,4-7H2,1-3H3;4,6-8H,3,5H2,1-2H3;3-7H,1-2H3;8H,5-7H2,1-4H3;2*7-8H,3-6H2,1-2H3;7H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 3476.86 g/mol, XLogP of 44.72, 69 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161202418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).