2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3S)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine

C119H237N13O9 — CID 160601045

About 2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3S)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine

2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3S)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine (PubChem CID 160601045) has the molecular formula C119H237N13O9 and a molecular weight of 1994.29 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3S)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine.

Molecular Properties

• Compound Name: 2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3S)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine
• PubChem CID: 160601045
• Molecular Formula: C119H237N13O9
• Molecular Weight: 1994.29 g/mol
• Exact Mass: 1992.85
• IUPAC Name: 2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3S)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine
• SMILES: CC(C)(C)CC(=O)CN1CCC(C(C)(C)C)CC1.CC(C)(C)CCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)CCC(=O)N[C@@H]1CCN(C(C)(C)C)C1.CC(C)(C)CCC(=O)N[C@H]1CCN(C(C)(C)C)C1.CC(C)(C)NC1CCN(C(C)(C)C)CC1.CC(C)(C)NCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(C(C)(C)C)CC1
• InChI: InChI=1S/C16H31NO.4C15H30N2O.2C15H29NO2.C13H28N2/c1-15(2,3)11-14(18)12-17-9-7-13(8-10-17)16(4,5)6;2*1-14(2,3)9-7-13(18)16-12-8-10-17(11-12)15(4,5)6;1-14(2,3)12-7-9-17(10-8-12)13(18)11-16-15(4,5)6;1-14(2,3)8-7-13(18)16-9-11-17(12-10-16)15(4,5)6;2*1-14(2,3)12-7-9-16(10-8-12)13(17)11-18-15(4,5)6;1-12(2,3)14-11-7-9-15(10-8-11)13(4,5)6/h13H,7-12H2,1-6H3;2*12H,7-11H2,1-6H3,(H,16,18);12,16H,7-11H2,1-6H3;7-12H2,1-6H3;2*12H,7-11H2,1-6H3;11,14H,7-10H2,1-6H3/t;2*12-;;;;;/m.10...../s1
• InChIKey: REGWJRYEWHUOAF-SXNQOKHZSA-N
• XLogP: 23.58
• TPSA: 215.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1994.29
LogP ≤ 5	23.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3S)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine?

The IUPAC name of 2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3S)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine (CID 160601045) is 2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3S)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine.

What is the SMILES notation for 2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3S)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine?

The canonical SMILES for 2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3S)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine is CC(C)(C)CC(=O)CN1CCC(C(C)(C)C)CC1.CC(C)(C)CCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)CCC(=O)N[C@@H]1CCN(C(C)(C)C)C1.CC(C)(C)CCC(=O)N[C@H]1CCN(C(C)(C)C)C1.CC(C)(C)NC1CCN(C(C)(C)C)CC1.CC(C)(C)NCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(C(C)(C)C)CC1.

What is the InChIKey of 2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3S)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine?

The InChIKey is REGWJRYEWHUOAF-SXNQOKHZSA-N. The full InChI is InChI=1S/C16H31NO.4C15H30N2O.2C15H29NO2.C13H28N2/c1-15(2,3)11-14(18)12-17-9-7-13(8-10-17)16(4,5)6;2*1-14(2,3)9-7-13(18)16-12-8-10-17(11-12)15(4,5)6;1-14(2,3)12-7-9-17(10-8-12)13(18)11-16-15(4,5)6;1-14(2,3)8-7-13(18)16-9-11-17(12-10-16)15(4,5)6;2*1-14(2,3)12-7-9-16(10-8-12)13(17)11-18-15(4,5)6;1-12(2,3)14-11-7-9-15(10-8-11)13(4,5)6/h13H,7-12H2,1-6H3;2*12H,7-11H2,1-6H3,(H,16,18);12,16H,7-11H2,1-6H3;7-12H2,1-6H3;2*12H,7-11H2,1-6H3;11,14H,7-10H2,1-6H3/t;2*12-;;;;;/m.10...../s1.

What are the key properties of 2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3S)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine?

2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3S)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine has a molecular weight of 1994.29 g/mol, XLogP of 23.58, 18 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(tert-butylamino)-1-(4-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);N-[(3S)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N-[(3R)-1-tert-butylpyrrolidin-3-yl]-4,4-dimethylpentanamide;N,1-ditert-butylpiperidin-4-amine is sourced from PubChem (CID 160601045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).