2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C37H79N7O — CID 158487728

About 2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 158487728) has the molecular formula C37H79N7O and a molecular weight of 638.09 g/mol. Its IUPAC name is 2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

• Compound Name: 2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
• PubChem CID: 158487728
• Molecular Formula: C37H79N7O
• Molecular Weight: 638.09 g/mol
• Exact Mass: 637.63
• IUPAC Name: 2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
• SMILES: CC(C)N1CC2CC1CN2.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1
• InChI: InChI=1S/C8H16N2.C8H17N.C7H16N2.C7H15NO.C7H15N/c1-6(2)10-5-7-3-8(10)4-9-7;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h6-9H,3-5H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3
• InChIKey: HIHRQKYQOZOSAH-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 49.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	638.09
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?

The IUPAC name of 2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 158487728) is 2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

What is the SMILES notation for 2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?

The canonical SMILES for 2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is CC(C)N1CC2CC1CN2.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.

What is the InChIKey of 2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?

The InChIKey is HIHRQKYQOZOSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C8H17N.C7H16N2.C7H15NO.C7H15N/c1-6(2)10-5-7-3-8(10)4-9-7;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h6-9H,3-5H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3.

What are the key properties of 2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?

2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 638.09 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 158487728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).