(3S)-1-tert-butyl-3-methylpiperidine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;ethane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine

C89H188N8 — CID 159528708

About (3S)-1-tert-butyl-3-methylpiperidine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;ethane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine

(3S)-1-tert-butyl-3-methylpiperidine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;ethane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine (PubChem CID 159528708) has the molecular formula C89H188N8 and a molecular weight of 1370.54 g/mol. Its IUPAC name is (3S)-1-tert-butyl-3-methylpiperidine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;ethane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

• Compound Name: (3S)-1-tert-butyl-3-methylpiperidine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;ethane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
• PubChem CID: 159528708
• Molecular Formula: C89H188N8
• Molecular Weight: 1370.54 g/mol
• Exact Mass: 1369.50
• IUPAC Name: (3S)-1-tert-butyl-3-methylpiperidine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;ethane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
• SMILES: CC.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)CC1CCCN1C(C)C.CC(C)NC1CCC(C(C)C)CC1.C[C@H]1CCCN(C(C)(C)C)C1
• InChI: InChI=1S/C12H25N.5C11H23N.2C10H21N.C2H6/c1-9(2)11-5-7-12(8-6-11)13-10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)8-11-6-5-7-12(11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-9-6-5-7-11(8-9)10(2,3)4;1-2/h9-13H,5-8H2,1-4H3;5*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;9H,5-8H2,1-4H3;1-2H3/t;;;;;;;9-;/m.......0./s1
• InChIKey: MCSFZYPYQPNQAC-JCTJZXTHSA-N
• XLogP: 23.07
• TPSA: 34.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1370.54
LogP ≤ 5	23.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-3-methylpiperidine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;ethane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine?

The IUPAC name of (3S)-1-tert-butyl-3-methylpiperidine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;ethane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine (CID 159528708) is (3S)-1-tert-butyl-3-methylpiperidine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;ethane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine.

What is the SMILES notation for (3S)-1-tert-butyl-3-methylpiperidine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;ethane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine?

The canonical SMILES for (3S)-1-tert-butyl-3-methylpiperidine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;ethane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine is CC.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)CC1CCCN1C(C)C.CC(C)NC1CCC(C(C)C)CC1.C[C@H]1CCCN(C(C)(C)C)C1.

What is the InChIKey of (3S)-1-tert-butyl-3-methylpiperidine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;ethane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine?

The InChIKey is MCSFZYPYQPNQAC-JCTJZXTHSA-N. The full InChI is InChI=1S/C12H25N.5C11H23N.2C10H21N.C2H6/c1-9(2)11-5-7-12(8-6-11)13-10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)8-11-6-5-7-12(11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-9-6-5-7-11(8-9)10(2,3)4;1-2/h9-13H,5-8H2,1-4H3;5*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;9H,5-8H2,1-4H3;1-2H3/t;;;;;;;9-;/m.......0./s1.

What are the key properties of (3S)-1-tert-butyl-3-methylpiperidine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;ethane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine?

(3S)-1-tert-butyl-3-methylpiperidine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;ethane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine has a molecular weight of 1370.54 g/mol, XLogP of 23.07, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-tert-butyl-3-methylpiperidine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;ethane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 159528708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).