N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-2-[2-(2,2-dimethylpropoxy)ethoxy]acetamide;tert-butyl 2-[2-(2,2-dimethylpropoxy)ethoxy]acetate;tert-butyl 2-(2,2-dimethylpropoxy)ethyl carbonate;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;1-[2-(2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutan-2-one;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one

C170H356N14O25 — CID 158203189

About N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-2-[2-(2,2-dimethylpropoxy)ethoxy]acetamide;tert-butyl 2-[2-(2,2-dimethylpropoxy)ethoxy]acetate;tert-butyl 2-(2,2-dimethylpropoxy)ethyl carbonate;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;1-[2-(2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutan-2-one;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one

N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-2-[2-(2,2-dimethylpropoxy)ethoxy]acetamide;tert-butyl 2-[2-(2,2-dimethylpropoxy)ethoxy]acetate;tert-butyl 2-(2,2-dimethylpropoxy)ethyl carbonate;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;1-[2-(2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutan-2-one;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one (PubChem CID 158203189) has the molecular formula C170H356N14O25 and a molecular weight of 2996.79 g/mol. Its IUPAC name is N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-2-[2-(2,2-dimethylpropoxy)ethoxy]acetamide;tert-butyl 2-[2-(2,2-dimethylpropoxy)ethoxy]acetate;tert-butyl 2-(2,2-dimethylpropoxy)ethyl carbonate;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;1-[2-(2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutan-2-one;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one.

Molecular Properties

• Compound Name: N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-2-[2-(2,2-dimethylpropoxy)ethoxy]acetamide;tert-butyl 2-[2-(2,2-dimethylpropoxy)ethoxy]acetate;tert-butyl 2-(2,2-dimethylpropoxy)ethyl carbonate;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;1-[2-(2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutan-2-one;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one
• PubChem CID: 158203189
• Molecular Formula: C170H356N14O25
• Molecular Weight: 2996.79 g/mol
• Exact Mass: 2994.70
• IUPAC Name: N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-2-[2-(2,2-dimethylpropoxy)ethoxy]acetamide;tert-butyl 2-[2-(2,2-dimethylpropoxy)ethoxy]acetate;tert-butyl 2-(2,2-dimethylpropoxy)ethyl carbonate;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;1-[2-(2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutan-2-one;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one
• SMILES: CC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CC(=O)NC(C)(C)C.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)COCCC(=O)NC(C)(C)C.CC(C)(C)COCCNC(C)(C)C.CC(C)(C)COCCOC(=O)C(C)(C)C.CC(C)(C)COCCOC(=O)OC(C)(C)C.CC(C)(C)COCCOCC(=O)C(C)(C)C.CC(C)(C)COCCOCC(=O)NC(C)(C)C.CC(C)(C)COCCOCC(=O)OC(C)(C)C.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)OCCC(=O)NC(C)(C)C
• InChI: InChI=1S/C14H31N3.C14H30N2O.C14H30N2.C13H27NO3.C13H26O4.C13H26O3.C12H26N2.C12H25NO2.C12H24O4.C12H24O3.C11H25NO.C10H21NO2.C10H21NO.C10H20O/c1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2,3)10-17-8-7-16-9-11(15)14-13(4,5)6;1-12(2,3)10-16-8-7-15-9-11(14)17-13(4,5)6;1-12(2,3)10-16-8-7-15-9-11(14)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)9-15-8-7-10(14)13-12(4,5)6;1-11(2,3)9-14-7-8-15-10(13)16-12(4,5)6;1-11(2,3)9-14-7-8-15-10(13)12(4,5)6;1-10(2,3)9-13-8-7-12-11(4,5)6;1-8(2)13-7-6-9(12)11-10(3,4)5;1-9(2,3)7-8(12)11-10(4,5)6;1-9(2,3)7-8(11)10(4,5)6/h15H,7-12H2,1-6H3;7-12H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3,(H,14,15);7-10H2,1-6H3;7-10H2,1-6H3;7-10H2,1-6H3;7-9H2,1-6H3,(H,13,14);7-9H2,1-6H3;7-9H2,1-6H3;12H,7-9H2,1-6H3;8H,6-7H2,1-5H3,(H,11,12);7H2,1-6H3,(H,11,12);7H2,1-6H3
• InChIKey: GBELVAADTZCOTJ-UHFFFAOYSA-N
• XLogP: 33.64
• TPSA: 399.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 48
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2996.79
LogP ≤ 5	33.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-2-[2-(2,2-dimethylpropoxy)ethoxy]acetamide;tert-butyl 2-[2-(2,2-dimethylpropoxy)ethoxy]acetate;tert-butyl 2-(2,2-dimethylpropoxy)ethyl carbonate;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;1-[2-(2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutan-2-one;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one?

The IUPAC name of N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-2-[2-(2,2-dimethylpropoxy)ethoxy]acetamide;tert-butyl 2-[2-(2,2-dimethylpropoxy)ethoxy]acetate;tert-butyl 2-(2,2-dimethylpropoxy)ethyl carbonate;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;1-[2-(2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutan-2-one;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one (CID 158203189) is N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-2-[2-(2,2-dimethylpropoxy)ethoxy]acetamide;tert-butyl 2-[2-(2,2-dimethylpropoxy)ethoxy]acetate;tert-butyl 2-(2,2-dimethylpropoxy)ethyl carbonate;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;1-[2-(2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutan-2-one;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one.

What is the SMILES notation for N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-2-[2-(2,2-dimethylpropoxy)ethoxy]acetamide;tert-butyl 2-[2-(2,2-dimethylpropoxy)ethoxy]acetate;tert-butyl 2-(2,2-dimethylpropoxy)ethyl carbonate;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;1-[2-(2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutan-2-one;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one?

The canonical SMILES for N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-2-[2-(2,2-dimethylpropoxy)ethoxy]acetamide;tert-butyl 2-[2-(2,2-dimethylpropoxy)ethoxy]acetate;tert-butyl 2-(2,2-dimethylpropoxy)ethyl carbonate;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;1-[2-(2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutan-2-one;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one is CC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CC(=O)NC(C)(C)C.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)COCCC(=O)NC(C)(C)C.CC(C)(C)COCCNC(C)(C)C.CC(C)(C)COCCOC(=O)C(C)(C)C.CC(C)(C)COCCOC(=O)OC(C)(C)C.CC(C)(C)COCCOCC(=O)C(C)(C)C.CC(C)(C)COCCOCC(=O)NC(C)(C)C.CC(C)(C)COCCOCC(=O)OC(C)(C)C.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)OCCC(=O)NC(C)(C)C.

What is the InChIKey of N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-2-[2-(2,2-dimethylpropoxy)ethoxy]acetamide;tert-butyl 2-[2-(2,2-dimethylpropoxy)ethoxy]acetate;tert-butyl 2-(2,2-dimethylpropoxy)ethyl carbonate;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;1-[2-(2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutan-2-one;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one?

The InChIKey is GBELVAADTZCOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3.C14H30N2O.C14H30N2.C13H27NO3.C13H26O4.C13H26O3.C12H26N2.C12H25NO2.C12H24O4.C12H24O3.C11H25NO.C10H21NO2.C10H21NO.C10H20O/c1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2,3)10-17-8-7-16-9-11(15)14-13(4,5)6;1-12(2,3)10-16-8-7-15-9-11(14)17-13(4,5)6;1-12(2,3)10-16-8-7-15-9-11(14)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)9-15-8-7-10(14)13-12(4,5)6;1-11(2,3)9-14-7-8-15-10(13)16-12(4,5)6;1-11(2,3)9-14-7-8-15-10(13)12(4,5)6;1-10(2,3)9-13-8-7-12-11(4,5)6;1-8(2)13-7-6-9(12)11-10(3,4)5;1-9(2,3)7-8(12)11-10(4,5)6;1-9(2,3)7-8(11)10(4,5)6/h15H,7-12H2,1-6H3;7-12H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3,(H,14,15);7-10H2,1-6H3;7-10H2,1-6H3;7-10H2,1-6H3;7-9H2,1-6H3,(H,13,14);7-9H2,1-6H3;7-9H2,1-6H3;12H,7-9H2,1-6H3;8H,6-7H2,1-5H3,(H,11,12);7H2,1-6H3,(H,11,12);7H2,1-6H3.

What are the key properties of N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-2-[2-(2,2-dimethylpropoxy)ethoxy]acetamide;tert-butyl 2-[2-(2,2-dimethylpropoxy)ethoxy]acetate;tert-butyl 2-(2,2-dimethylpropoxy)ethyl carbonate;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;1-[2-(2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutan-2-one;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one?

N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-2-[2-(2,2-dimethylpropoxy)ethoxy]acetamide;tert-butyl 2-[2-(2,2-dimethylpropoxy)ethoxy]acetate;tert-butyl 2-(2,2-dimethylpropoxy)ethyl carbonate;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;1-[2-(2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutan-2-one;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one has a molecular weight of 2996.79 g/mol, XLogP of 33.64, 48 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-2-[2-(2,2-dimethylpropoxy)ethoxy]acetamide;tert-butyl 2-[2-(2,2-dimethylpropoxy)ethoxy]acetate;tert-butyl 2-(2,2-dimethylpropoxy)ethyl carbonate;N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-tert-butyl-3-propan-2-yloxypropanamide;1,4-ditert-butylpiperazine;1-[2-(2,2-dimethylpropoxy)ethoxy]-3,3-dimethylbutan-2-one;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;N-[2-(2,2-dimethylpropoxy)ethyl]-2-methylpropan-2-amine;2,2,5,5-tetramethylhexan-3-one is sourced from PubChem (CID 158203189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).