2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C38H77N5O — CID 167655011

About 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 167655011) has the molecular formula C38H77N5O and a molecular weight of 620.07 g/mol. Its IUPAC name is 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

• Compound Name: 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
• PubChem CID: 167655011
• Molecular Formula: C38H77N5O
• Molecular Weight: 620.07 g/mol
• Exact Mass: 619.61
• IUPAC Name: 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
• SMILES: CC(C)N1CC2(CCC2)C1.CC(C)N1CC2(COC2)C1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1
• InChI: InChI=1S/C9H17N.C8H15NO.C8H17N.C7H15N.C6H13N/c1-8(2)10-6-9(7-10)4-3-5-9;1-7(2)9-3-8(4-9)5-10-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
• InChIKey: RDATWVAMEXIWGI-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 25.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.07
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?

The IUPAC name of 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 167655011) is 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

What is the SMILES notation for 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?

The canonical SMILES for 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is CC(C)N1CC2(CCC2)C1.CC(C)N1CC2(COC2)C1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.

What is the InChIKey of 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?

The InChIKey is RDATWVAMEXIWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H15NO.C8H17N.C7H15N.C6H13N/c1-8(2)10-6-9(7-10)4-3-5-9;1-7(2)9-3-8(4-9)5-10-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3.

What are the key properties of 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?

2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 620.07 g/mol, XLogP of 7.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 167655011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).