N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine);1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;ethane;methane;2,2,5,5-tetramethylhexan-3-one

C117H257N17O4 — CID 167652787

About N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine);1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;ethane;methane;2,2,5,5-tetramethylhexan-3-one

N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine);1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;ethane;methane;2,2,5,5-tetramethylhexan-3-one (PubChem CID 167652787) has the molecular formula C117H257N17O4 and a molecular weight of 1966.46 g/mol. Its IUPAC name is N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine);1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;ethane;methane;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;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine);1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;ethane;methane;2,2,5,5-tetramethylhexan-3-one
• PubChem CID: 167652787
• Molecular Formula: C117H257N17O4
• Molecular Weight: 1966.46 g/mol
• Exact Mass: 1965.04
• IUPAC Name: N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine);1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;ethane;methane;2,2,5,5-tetramethylhexan-3-one
• SMILES: C.C.CC.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)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(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)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1
• InChI: InChI=1S/2C14H31N3.2C14H30N2O.C14H30N2.C12H26N2.C11H24N2.C10H21NO.C10H20O.C2H6.2CH4/c2*1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;2*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;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-10(2)12-6-8-13(9-7-12)11(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;1-2;;/h2*15H,7-12H2,1-6H3;2*7-12H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3;10H,6-9H2,1-5H3;7H2,1-6H3,(H,11,12);7H2,1-6H3;1-2H3;2*1H4
• InChIKey: QUXIQOCVGBNQGH-UHFFFAOYSA-N
• XLogP: 22.54
• TPSA: 134.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1966.46
LogP ≤ 5	22.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine);1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;ethane;methane;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;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine);1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;ethane;methane;2,2,5,5-tetramethylhexan-3-one (CID 167652787) is N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine);1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;ethane;methane;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;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine);1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;ethane;methane;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;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine);1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;ethane;methane;2,2,5,5-tetramethylhexan-3-one is C.C.CC.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)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(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)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1.

What is the InChIKey of N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine);1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;ethane;methane;2,2,5,5-tetramethylhexan-3-one?

The InChIKey is QUXIQOCVGBNQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H31N3.2C14H30N2O.C14H30N2.C12H26N2.C11H24N2.C10H21NO.C10H20O.C2H6.2CH4/c2*1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;2*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;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-10(2)12-6-8-13(9-7-12)11(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;1-2;;/h2*15H,7-12H2,1-6H3;2*7-12H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3;10H,6-9H2,1-5H3;7H2,1-6H3,(H,11,12);7H2,1-6H3;1-2H3;2*1H4.

What are the key properties of N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine);1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;ethane;methane;2,2,5,5-tetramethylhexan-3-one?

N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine);1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;ethane;methane;2,2,5,5-tetramethylhexan-3-one has a molecular weight of 1966.46 g/mol, XLogP of 22.54, 17 rotatable bonds, 3 hydrogen bond donors, and 20 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;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine);1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;ethane;methane;2,2,5,5-tetramethylhexan-3-one is sourced from PubChem (CID 167652787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).