3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-yl-1-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-ylazetidine;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide

C95H190N12O5S — CID 158905238

About 3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-yl-1-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-ylazetidine;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide

3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-yl-1-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-ylazetidine;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide (PubChem CID 158905238) has the molecular formula C95H190N12O5S and a molecular weight of 1612.71 g/mol. Its IUPAC name is 3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-yl-1-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-ylazetidine;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

• Compound Name: 3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-yl-1-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-ylazetidine;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide
• PubChem CID: 158905238
• Molecular Formula: C95H190N12O5S
• Molecular Weight: 1612.71 g/mol
• Exact Mass: 1611.47
• IUPAC Name: 3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-yl-1-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-ylazetidine;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide
• SMILES: CC(C)C1=CCOCC1.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC1CO2.CC(C)N1CCC1.CC(C)N1CCC12CCC2.CC(C)N1CCC2(CC2)C1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCS(=O)(=O)CC1
• InChI: InChI=1S/C10H19N.C9H17NO.2C9H17N.C8H15N.C8H17N.C8H14O.C7H16N2.C7H15NO2S.C7H15NO.C7H15N.C6H13N/c1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-5-9-4-3-8(10)6-11-9;1-8(2)10-6-5-9(7-10)3-4-9;1-8(2)10-7-6-9(10)4-3-5-9;1-6(2)9-4-7-3-8(7)5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-11(9,10)6-4-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;6-8H,3-5H2,1-2H3;8H,3-7H2,1-2H3;3,7H,4-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
• InChIKey: JFYPVMILYJTHRO-UHFFFAOYSA-N
• XLogP: 16.53
• TPSA: 109.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1612.71
LogP ≤ 5	16.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-yl-1-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-ylazetidine;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide?

The IUPAC name of 3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-yl-1-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-ylazetidine;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide (CID 158905238) is 3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-yl-1-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-ylazetidine;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide.

What is the SMILES notation for 3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-yl-1-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-ylazetidine;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide?

The canonical SMILES for 3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-yl-1-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-ylazetidine;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide is CC(C)C1=CCOCC1.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC1CO2.CC(C)N1CCC1.CC(C)N1CCC12CCC2.CC(C)N1CCC2(CC2)C1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCS(=O)(=O)CC1.

What is the InChIKey of 3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-yl-1-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-ylazetidine;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide?

The InChIKey is JFYPVMILYJTHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C9H17NO.2C9H17N.C8H15N.C8H17N.C8H14O.C7H16N2.C7H15NO2S.C7H15NO.C7H15N.C6H13N/c1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-5-9-4-3-8(10)6-11-9;1-8(2)10-6-5-9(7-10)3-4-9;1-8(2)10-7-6-9(10)4-3-5-9;1-6(2)9-4-7-3-8(7)5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-11(9,10)6-4-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;6-8H,3-5H2,1-2H3;8H,3-7H2,1-2H3;3,7H,4-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3.

What are the key properties of 3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-yl-1-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-ylazetidine;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide?

3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-yl-1-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-ylazetidine;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide has a molecular weight of 1612.71 g/mol, XLogP of 16.53, 12 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-yl-1-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-ylazetidine;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 158905238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).