4-methyl-1-(2-methylpropyl)-4-propan-2-ylpiperidine;3-(2-methylpropyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-(2-methylpropyl)-3-propan-2-ylazetidine;1-(2-methylpropyl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-3-propan-2-ylpyrrolidine

C59H120N4 — CID 163718086

About 4-methyl-1-(2-methylpropyl)-4-propan-2-ylpiperidine;3-(2-methylpropyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-(2-methylpropyl)-3-propan-2-ylazetidine;1-(2-methylpropyl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-3-propan-2-ylpyrrolidine

4-methyl-1-(2-methylpropyl)-4-propan-2-ylpiperidine;3-(2-methylpropyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-(2-methylpropyl)-3-propan-2-ylazetidine;1-(2-methylpropyl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-3-propan-2-ylpyrrolidine (PubChem CID 163718086) has the molecular formula C59H120N4 and a molecular weight of 885.64 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropyl)-4-propan-2-ylpiperidine;3-(2-methylpropyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-(2-methylpropyl)-3-propan-2-ylazetidine;1-(2-methylpropyl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-3-propan-2-ylpyrrolidine.

Molecular Properties

• Compound Name: 4-methyl-1-(2-methylpropyl)-4-propan-2-ylpiperidine;3-(2-methylpropyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-(2-methylpropyl)-3-propan-2-ylazetidine;1-(2-methylpropyl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-3-propan-2-ylpyrrolidine
• PubChem CID: 163718086
• Molecular Formula: C59H120N4
• Molecular Weight: 885.64 g/mol
• Exact Mass: 884.95
• IUPAC Name: 4-methyl-1-(2-methylpropyl)-4-propan-2-ylpiperidine;3-(2-methylpropyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-(2-methylpropyl)-3-propan-2-ylazetidine;1-(2-methylpropyl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-3-propan-2-ylpyrrolidine
• SMILES: CC(C)CC1CCC(C(C)C)CC1.CC(C)CN1CC(C(C)C)C1.CC(C)CN1CC2C(C1)C2C(C)C.CC(C)CN1CCC(C(C)C)C1.CC(C)CN1CCC(C)(C(C)C)CC1
• InChI: InChI=1S/C13H27N.C13H26.C12H23N.C11H23N.C10H21N/c1-11(2)10-14-8-6-13(5,7-9-14)12(3)4;1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-8(2)5-13-6-10-11(7-13)12(10)9(3)4;1-9(2)7-12-6-5-11(8-12)10(3)4;1-8(2)5-11-6-10(7-11)9(3)4/h11-12H,6-10H2,1-5H3;10-13H,5-9H2,1-4H3;8-12H,5-7H2,1-4H3;9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3
• InChIKey: KPCOFODJAVSAAZ-UHFFFAOYSA-N
• XLogP: 15.22
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.64
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpropyl)-4-propan-2-ylpiperidine;3-(2-methylpropyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-(2-methylpropyl)-3-propan-2-ylazetidine;1-(2-methylpropyl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-3-propan-2-ylpyrrolidine?

The IUPAC name of 4-methyl-1-(2-methylpropyl)-4-propan-2-ylpiperidine;3-(2-methylpropyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-(2-methylpropyl)-3-propan-2-ylazetidine;1-(2-methylpropyl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-3-propan-2-ylpyrrolidine (CID 163718086) is 4-methyl-1-(2-methylpropyl)-4-propan-2-ylpiperidine;3-(2-methylpropyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-(2-methylpropyl)-3-propan-2-ylazetidine;1-(2-methylpropyl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-3-propan-2-ylpyrrolidine.

What is the SMILES notation for 4-methyl-1-(2-methylpropyl)-4-propan-2-ylpiperidine;3-(2-methylpropyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-(2-methylpropyl)-3-propan-2-ylazetidine;1-(2-methylpropyl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-3-propan-2-ylpyrrolidine?

The canonical SMILES for 4-methyl-1-(2-methylpropyl)-4-propan-2-ylpiperidine;3-(2-methylpropyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-(2-methylpropyl)-3-propan-2-ylazetidine;1-(2-methylpropyl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-3-propan-2-ylpyrrolidine is CC(C)CC1CCC(C(C)C)CC1.CC(C)CN1CC(C(C)C)C1.CC(C)CN1CC2C(C1)C2C(C)C.CC(C)CN1CCC(C(C)C)C1.CC(C)CN1CCC(C)(C(C)C)CC1.

What is the InChIKey of 4-methyl-1-(2-methylpropyl)-4-propan-2-ylpiperidine;3-(2-methylpropyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-(2-methylpropyl)-3-propan-2-ylazetidine;1-(2-methylpropyl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-3-propan-2-ylpyrrolidine?

The InChIKey is KPCOFODJAVSAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.C13H26.C12H23N.C11H23N.C10H21N/c1-11(2)10-14-8-6-13(5,7-9-14)12(3)4;1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-8(2)5-13-6-10-11(7-13)12(10)9(3)4;1-9(2)7-12-6-5-11(8-12)10(3)4;1-8(2)5-11-6-10(7-11)9(3)4/h11-12H,6-10H2,1-5H3;10-13H,5-9H2,1-4H3;8-12H,5-7H2,1-4H3;9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3.

What are the key properties of 4-methyl-1-(2-methylpropyl)-4-propan-2-ylpiperidine;3-(2-methylpropyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-(2-methylpropyl)-3-propan-2-ylazetidine;1-(2-methylpropyl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-3-propan-2-ylpyrrolidine?

4-methyl-1-(2-methylpropyl)-4-propan-2-ylpiperidine;3-(2-methylpropyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-(2-methylpropyl)-3-propan-2-ylazetidine;1-(2-methylpropyl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-3-propan-2-ylpyrrolidine has a molecular weight of 885.64 g/mol, XLogP of 15.22, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-(2-methylpropyl)-4-propan-2-ylpiperidine;3-(2-methylpropyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-(2-methylpropyl)-3-propan-2-ylazetidine;1-(2-methylpropyl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 163718086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).