ethane;N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;(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-(3-propan-2-ylcyclopentyl)piperazine

C109H201N13O3 — CID 159581022

About ethane;N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;(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-(3-propan-2-ylcyclopentyl)piperazine

ethane;N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;(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-(3-propan-2-ylcyclopentyl)piperazine (PubChem CID 159581022) has the molecular formula C109H201N13O3 and a molecular weight of 1741.89 g/mol. Its IUPAC name is ethane;N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;(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-(3-propan-2-ylcyclopentyl)piperazine.

Molecular Properties

• Compound Name: ethane;N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;(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-(3-propan-2-ylcyclopentyl)piperazine
• PubChem CID: 159581022
• Molecular Formula: C109H201N13O3
• Molecular Weight: 1741.89 g/mol
• Exact Mass: 1740.60
• IUPAC Name: ethane;N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;(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-(3-propan-2-ylcyclopentyl)piperazine
• SMILES: CC.CC.CC(C)C1CCC(N2CCN(C(C)C)CC2)C1.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)c1ccc(-c2ccc(-c3cnc(C(C)C)n3C)cc2)cc1.CC1CCC(CN(C(C)C)C2CC(OC(C)C)C2)CC1.CC1CCC(N(C)C2CCN(C(C)C)CC2)CC1
• InChI: InChI=1S/C22H26N2.C18H35NO.C17H32N4O.C17H34N2O.C16H32N2.C15H30N2.2C2H6/c1-15(2)17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-23-22(16(3)4)24(21)5;1-13(2)19(12-16-8-6-15(5)7-9-16)17-10-18(11-17)20-14(3)4;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)18-11-9-16(10-12-18)17(4)15-7-5-14(3)6-8-15;1-12(2)14-5-6-15(11-14)17-9-7-16(8-10-17)13(3)4;2*1-2/h6-16H,1-5H3;13-18H,6-12H2,1-5H3;13-16H,5-12H2,1-4H3;12-17H,7-11H2,1-6H3;13-16H,5-12H2,1-4H3;12-15H,5-11H2,1-4H3;2*1-2H3
• InChIKey: MJAASYJWLZATLG-UHFFFAOYSA-N
• XLogP: 23.14
• TPSA: 88.99 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 25
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1741.89
LogP ≤ 5	23.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;(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-(3-propan-2-ylcyclopentyl)piperazine?

The IUPAC name of ethane;N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;(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-(3-propan-2-ylcyclopentyl)piperazine (CID 159581022) is ethane;N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;(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-(3-propan-2-ylcyclopentyl)piperazine.

What is the SMILES notation for ethane;N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;(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-(3-propan-2-ylcyclopentyl)piperazine?

The canonical SMILES for ethane;N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;(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-(3-propan-2-ylcyclopentyl)piperazine is CC.CC.CC(C)C1CCC(N2CCN(C(C)C)CC2)C1.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)c1ccc(-c2ccc(-c3cnc(C(C)C)n3C)cc2)cc1.CC1CCC(CN(C(C)C)C2CC(OC(C)C)C2)CC1.CC1CCC(N(C)C2CCN(C(C)C)CC2)CC1.

What is the InChIKey of ethane;N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;(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-(3-propan-2-ylcyclopentyl)piperazine?

The InChIKey is MJAASYJWLZATLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2.C18H35NO.C17H32N4O.C17H34N2O.C16H32N2.C15H30N2.2C2H6/c1-15(2)17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-23-22(16(3)4)24(21)5;1-13(2)19(12-16-8-6-15(5)7-9-16)17-10-18(11-17)20-14(3)4;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)18-11-9-16(10-12-18)17(4)15-7-5-14(3)6-8-15;1-12(2)14-5-6-15(11-14)17-9-7-16(8-10-17)13(3)4;2*1-2/h6-16H,1-5H3;13-18H,6-12H2,1-5H3;13-16H,5-12H2,1-4H3;12-17H,7-11H2,1-6H3;13-16H,5-12H2,1-4H3;12-15H,5-11H2,1-4H3;2*1-2H3.

What are the key properties of ethane;N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;(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-(3-propan-2-ylcyclopentyl)piperazine?

ethane;N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;(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-(3-propan-2-ylcyclopentyl)piperazine has a molecular weight of 1741.89 g/mol, XLogP of 23.14, 25 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;(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-(3-propan-2-ylcyclopentyl)piperazine is sourced from PubChem (CID 159581022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).