1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;bis(1-tert-butyl-4-(3,3-dimethylbutyl)piperazine);bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine

C138H291N17O9 — CID 160524473

About 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;bis(1-tert-butyl-4-(3,3-dimethylbutyl)piperazine);bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine

1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;bis(1-tert-butyl-4-(3,3-dimethylbutyl)piperazine);bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine (PubChem CID 160524473) has the molecular formula C138H291N17O9 and a molecular weight of 2332.96 g/mol. Its IUPAC name is 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;bis(1-tert-butyl-4-(3,3-dimethylbutyl)piperazine);bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine.

Molecular Properties

• Compound Name: 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;bis(1-tert-butyl-4-(3,3-dimethylbutyl)piperazine);bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine
• PubChem CID: 160524473
• Molecular Formula: C138H291N17O9
• Molecular Weight: 2332.96 g/mol
• Exact Mass: 2331.28
• IUPAC Name: 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;bis(1-tert-butyl-4-(3,3-dimethylbutyl)piperazine);bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine
• SMILES: CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCCNC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCNC(C)(C)C)CC1.CC(C)(C)COCCC(=O)N1CC[C@@H](NC(C)(C)C)C1.CC(C)(C)COCCCOC1CN(C(C)(C)C)C1.CC(C)(C)COCCN1CCC(NC(C)(C)C)CC1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1
• InChI: InChI=1S/C17H37N3.C16H35N3.C16H32N2O2.C16H34N2O.3C15H31NO2.2C14H30N2/c1-16(2,3)8-11-20-14-12-19(13-15-20)10-7-9-18-17(4,5)6;1-15(2,3)7-9-18-11-13-19(14-12-18)10-8-17-16(4,5)6;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;2*1-14(2,3)11-17-7-8-18-13-9-12(10-13)16-15(4,5)6;1-14(2,3)12-17-8-7-9-18-13-10-16(11-13)15(4,5)6;2*1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6/h18H,7-15H2,1-6H3;17H,7-14H2,1-6H3;13,17H,7-12H2,1-6H3;14,17H,7-13H2,1-6H3;2*12-13,16H,7-11H2,1-6H3;13H,7-12H2,1-6H3;2*7-12H2,1-6H3/t;;13-;;;;;;/m..1....../s1
• InChIKey: QUSAQUGHKYUZCJ-WLEMLQFASA-N
• XLogP: 25.16
• TPSA: 198.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 43
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2332.96
LogP ≤ 5	25.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

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;bis(1-tert-butyl-4-(3,3-dimethylbutyl)piperazine);bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine?

The IUPAC name of 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;bis(1-tert-butyl-4-(3,3-dimethylbutyl)piperazine);bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine (CID 160524473) is 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;bis(1-tert-butyl-4-(3,3-dimethylbutyl)piperazine);bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine.

What is the SMILES notation for 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;bis(1-tert-butyl-4-(3,3-dimethylbutyl)piperazine);bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine?

The canonical SMILES for 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;bis(1-tert-butyl-4-(3,3-dimethylbutyl)piperazine);bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine is CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCCNC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCNC(C)(C)C)CC1.CC(C)(C)COCCC(=O)N1CC[C@@H](NC(C)(C)C)C1.CC(C)(C)COCCCOC1CN(C(C)(C)C)C1.CC(C)(C)COCCN1CCC(NC(C)(C)C)CC1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.

What is the InChIKey of 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;bis(1-tert-butyl-4-(3,3-dimethylbutyl)piperazine);bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine?

The InChIKey is QUSAQUGHKYUZCJ-WLEMLQFASA-N. The full InChI is InChI=1S/C17H37N3.C16H35N3.C16H32N2O2.C16H34N2O.3C15H31NO2.2C14H30N2/c1-16(2,3)8-11-20-14-12-19(13-15-20)10-7-9-18-17(4,5)6;1-15(2,3)7-9-18-11-13-19(14-12-18)10-8-17-16(4,5)6;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;2*1-14(2,3)11-17-7-8-18-13-9-12(10-13)16-15(4,5)6;1-14(2,3)12-17-8-7-9-18-13-10-16(11-13)15(4,5)6;2*1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6/h18H,7-15H2,1-6H3;17H,7-14H2,1-6H3;13,17H,7-12H2,1-6H3;14,17H,7-13H2,1-6H3;2*12-13,16H,7-11H2,1-6H3;13H,7-12H2,1-6H3;2*7-12H2,1-6H3/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;bis(1-tert-butyl-4-(3,3-dimethylbutyl)piperazine);bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine?

1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;bis(1-tert-butyl-4-(3,3-dimethylbutyl)piperazine);bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine has a molecular weight of 2332.96 g/mol, XLogP of 25.16, 43 rotatable bonds, 6 hydrogen bond donors, and 25 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;bis(1-tert-butyl-4-(3,3-dimethylbutyl)piperazine);bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 160524473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).