ethane;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine

C94H166N14O3 — CID 167580379

About ethane;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine

ethane;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine (PubChem CID 167580379) has the molecular formula C94H166N14O3 and a molecular weight of 1540.46 g/mol. Its IUPAC name is ethane;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine.

Molecular Properties

• Compound Name: ethane;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine
• PubChem CID: 167580379
• Molecular Formula: C94H166N14O3
• Molecular Weight: 1540.46 g/mol
• Exact Mass: 1539.33
• IUPAC Name: ethane;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine
• SMILES: CC.CC(C)N1CCC(OCC2CCN(C(C)C)C2)CC1.CC(C)N1CCN(C(=O)N2CC3CN(C(C)C)CC3C2)CC1.CC(C)OC1CC(N(CC2CN(C(C)C)C2)C(C)C)C1.CC(C)c1ncc(-c2ccc(-c3ccc(-c4cnc(C(C)C)n4C)cc3)cc2)n1C.CC1CCC(N(C)C2CCN(C(C)C)CC2)CC1
• InChI: InChI=1S/C26H30N4.C17H32N4O.C17H34N2O.C16H32N2O.C16H32N2.C2H6/c1-17(2)25-27-15-23(29(25)5)21-11-7-19(8-12-21)20-9-13-22(14-10-20)24-16-28-26(18(3)4)30(24)6;1-13(2)18-5-7-19(8-6-18)17(22)21-11-15-9-20(14(3)4)10-16(15)12-21;1-12(2)18-9-15(10-18)11-19(13(3)4)16-7-17(8-16)20-14(5)6;1-13(2)17-9-6-16(7-10-17)19-12-15-5-8-18(11-15)14(3)4;1-13(2)18-11-9-16(10-12-18)17(4)15-7-5-14(3)6-8-15;1-2/h7-18H,1-6H3;13-16H,5-12H2,1-4H3;12-17H,7-11H2,1-6H3;13-16H,5-12H2,1-4H3;13-16H,5-12H2,1-4H3;1-2H3
• InChIKey: HCGRJUKQPXQKDY-UHFFFAOYSA-N
• XLogP: 17.80
• TPSA: 103.57 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1540.46
LogP ≤ 5	17.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine?

The IUPAC name of ethane;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine (CID 167580379) is ethane;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine.

What is the SMILES notation for ethane;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine?

The canonical SMILES for ethane;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine is CC.CC(C)N1CCC(OCC2CCN(C(C)C)C2)CC1.CC(C)N1CCN(C(=O)N2CC3CN(C(C)C)CC3C2)CC1.CC(C)OC1CC(N(CC2CN(C(C)C)C2)C(C)C)C1.CC(C)c1ncc(-c2ccc(-c3ccc(-c4cnc(C(C)C)n4C)cc3)cc2)n1C.CC1CCC(N(C)C2CCN(C(C)C)CC2)CC1.

What is the InChIKey of ethane;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine?

The InChIKey is HCGRJUKQPXQKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4.C17H32N4O.C17H34N2O.C16H32N2O.C16H32N2.C2H6/c1-17(2)25-27-15-23(29(25)5)21-11-7-19(8-12-21)20-9-13-22(14-10-20)24-16-28-26(18(3)4)30(24)6;1-13(2)18-5-7-19(8-6-18)17(22)21-11-15-9-20(14(3)4)10-16(15)12-21;1-12(2)18-9-15(10-18)11-19(13(3)4)16-7-17(8-16)20-14(5)6;1-13(2)17-9-6-16(7-10-17)19-12-15-5-8-18(11-15)14(3)4;1-13(2)18-11-9-16(10-12-18)17(4)15-7-5-14(3)6-8-15;1-2/h7-18H,1-6H3;13-16H,5-12H2,1-4H3;12-17H,7-11H2,1-6H3;13-16H,5-12H2,1-4H3;13-16H,5-12H2,1-4H3;1-2H3.

What are the key properties of ethane;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine?

ethane;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine has a molecular weight of 1540.46 g/mol, XLogP of 17.80, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine is sourced from PubChem (CID 167580379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).