1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one

C166H320N8O19 — CID 167566818

About 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one

1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one (PubChem CID 167566818) has the molecular formula C166H320N8O19 and a molecular weight of 2732.42 g/mol. Its IUPAC name is 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one
• PubChem CID: 167566818
• Molecular Formula: C166H320N8O19
• Molecular Weight: 2732.42 g/mol
• Exact Mass: 2730.43
• IUPAC Name: 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one
• SMILES: CC(C)(C)CCCOc1cccc(CCC(C)(C)C)c1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)COCCC(=O)N1CC[C@@H](NC(C)(C)C)C1.CC(C)(C)COCCN1CCC(NC(C)(C)C)CC1.CC(C)(C)COCCc1ccc(CNC(C)(C)C)cc1.CC(C)(C)Cc1ccc(CCCCNC(C)(C)C)cc1.CC(C)CCC(C)(C)CCOCCCOCC(=O)C(C)C.CC(C)CCC(O)CCOCCCOCC(=O)C(C)C.CC(C)CCCCCOCCCOCC(=O)C(C)C.CC(C)CCOCCOCCOCC(=O)C(C)C
• InChI: InChI=1S/C19H33N.C19H32O.C18H31NO.C18H36O3.C16H32N2O2.C16H34N2O.C16H32O4.C16H32O3.C14H30N2.C14H28O4/c1-18(2,3)15-17-12-10-16(11-13-17)9-7-8-14-20-19(4,5)6;1-18(2,3)12-8-14-20-17-10-7-9-16(15-17)11-13-19(4,5)6;1-17(2,3)14-20-12-11-15-7-9-16(10-8-15)13-19-18(4,5)6;1-15(2)8-9-18(5,6)10-13-20-11-7-12-21-14-17(19)16(3)4;1-15(2,3)12-20-10-8-14(19)18-9-7-13(11-18)17-16(4,5)6;1-15(2,3)13-19-12-11-18-9-7-14(8-10-18)17-16(4,5)6;1-13(2)6-7-15(17)8-11-19-9-5-10-20-12-16(18)14(3)4;1-14(2)9-6-5-7-10-18-11-8-12-19-13-16(17)15(3)4;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2)5-6-16-7-8-17-9-10-18-11-14(15)13(3)4/h10-13,20H,7-9,14-15H2,1-6H3;7,9-10,15H,8,11-14H2,1-6H3;7-10,19H,11-14H2,1-6H3;15-16H,7-14H2,1-6H3;13,17H,7-12H2,1-6H3;14,17H,7-13H2,1-6H3;13-15,17H,5-12H2,1-4H3;14-15H,5-13H2,1-4H3;7-12H2,1-6H3;12-13H,5-11H2,1-4H3/t;;;;13-;;;;;/m....1...../s1
• InChIKey: FJTZQRGHHDOOEF-MTKKWBEBSA-N
• XLogP: 36.67
• TPSA: 286.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 81
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2732.42
LogP ≤ 5	36.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one?

The IUPAC name of 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one (CID 167566818) is 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one.

What is the SMILES notation for 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one?

The canonical SMILES for 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one is CC(C)(C)CCCOc1cccc(CCC(C)(C)C)c1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)COCCC(=O)N1CC[C@@H](NC(C)(C)C)C1.CC(C)(C)COCCN1CCC(NC(C)(C)C)CC1.CC(C)(C)COCCc1ccc(CNC(C)(C)C)cc1.CC(C)(C)Cc1ccc(CCCCNC(C)(C)C)cc1.CC(C)CCC(C)(C)CCOCCCOCC(=O)C(C)C.CC(C)CCC(O)CCOCCCOCC(=O)C(C)C.CC(C)CCCCCOCCCOCC(=O)C(C)C.CC(C)CCOCCOCCOCC(=O)C(C)C.

What is the InChIKey of 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one?

The InChIKey is FJTZQRGHHDOOEF-MTKKWBEBSA-N. The full InChI is InChI=1S/C19H33N.C19H32O.C18H31NO.C18H36O3.C16H32N2O2.C16H34N2O.C16H32O4.C16H32O3.C14H30N2.C14H28O4/c1-18(2,3)15-17-12-10-16(11-13-17)9-7-8-14-20-19(4,5)6;1-18(2,3)12-8-14-20-17-10-7-9-16(15-17)11-13-19(4,5)6;1-17(2,3)14-20-12-11-15-7-9-16(10-8-15)13-19-18(4,5)6;1-15(2)8-9-18(5,6)10-13-20-11-7-12-21-14-17(19)16(3)4;1-15(2,3)12-20-10-8-14(19)18-9-7-13(11-18)17-16(4,5)6;1-15(2,3)13-19-12-11-18-9-7-14(8-10-18)17-16(4,5)6;1-13(2)6-7-15(17)8-11-19-9-5-10-20-12-16(18)14(3)4;1-14(2)9-6-5-7-10-18-11-8-12-19-13-16(17)15(3)4;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2)5-6-16-7-8-17-9-10-18-11-14(15)13(3)4/h10-13,20H,7-9,14-15H2,1-6H3;7,9-10,15H,8,11-14H2,1-6H3;7-10,19H,11-14H2,1-6H3;15-16H,7-14H2,1-6H3;13,17H,7-12H2,1-6H3;14,17H,7-13H2,1-6H3;13-15,17H,5-12H2,1-4H3;14-15H,5-13H2,1-4H3;7-12H2,1-6H3;12-13H,5-11H2,1-4H3/t;;;;13-;;;;;/m....1...../s1.

What are the key properties of 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one?

1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one has a molecular weight of 2732.42 g/mol, XLogP of 36.67, 81 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one is sourced from PubChem (CID 167566818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).