(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C91H177N11O4 — CID 162158735

IUPAC(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N1C2CCC1COC2.CC(C)N1C2COCC3CC321.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC(C1)O2.CC(C)N1CCC1.CC(C)N1CCC2(CC2)C1.CC(C)N1CCCC1.CC(C)N1CCCC2(CC2)C1.CC(C)N1CCCCC1.CC(C)N1CCOCC1.CC(C)N1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C10H19N.C9H15NO.2C9H17NO.2C9H17N.C8H15N.C8H17N.C7H15NO.C7H15N.C6H13N/c1-9(2)11-7-3-4-10(8-11)5-6-10;1-6(2)10-8-5-11-4-7-3-9(7,8)10;1-7(2)10-8-3-4-9(10)6-11-5-8;1-7(2)10-5-8-3-4-9(6-10)11-8;1-7(2)10-6-8-3-4-9(10)5-8;1-8(2)10-6-5-9(7-10)3-4-9;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)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h9H,3-8H2,1-2H3;6-8H,3-5H2,1-2H3;2*7-9H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6-8H,3-5H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3/t;;;;8-,9+;;;;;;/m....0....../s1
InChIKeyZMEIQSUYSIZYCC-WQSBAWRZSA-N
MW1489.49 g/mol
LogP15.96
Rot. Bonds11

About (1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 162158735) has the molecular formula C91H177N11O4 and a molecular weight of 1489.49 g/mol. Its IUPAC name is (1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID162158735
Molecular FormulaC91H177N11O4
Molecular Weight1489.49 g/mol
Exact Mass1488.40
IUPAC Name(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N1C2CCC1COC2.CC(C)N1C2COCC3CC321.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC(C1)O2.CC(C)N1CCC1.CC(C)N1CCC2(CC2)C1.CC(C)N1CCCC1.CC(C)N1CCCC2(CC2)C1.CC(C)N1CCCCC1.CC(C)N1CCOCC1.CC(C)N1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C10H19N.C9H15NO.2C9H17NO.2C9H17N.C8H15N.C8H17N.C7H15NO.C7H15N.C6H13N/c1-9(2)11-7-3-4-10(8-11)5-6-10;1-6(2)10-8-5-11-4-7-3-9(7,8)10;1-7(2)10-8-3-4-9(10)6-11-5-8;1-7(2)10-5-8-3-4-9(6-10)11-8;1-7(2)10-6-8-3-4-9(10)5-8;1-8(2)10-6-5-9(7-10)3-4-9;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)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h9H,3-8H2,1-2H3;6-8H,3-5H2,1-2H3;2*7-9H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6-8H,3-5H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3/t;;;;8-,9+;;;;;;/m....0....../s1
InChIKeyZMEIQSUYSIZYCC-WQSBAWRZSA-N
XLogP15.96
TPSA72.33 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001489.49
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of (1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 162158735) is (1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for (1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for (1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is CC(C)N1C2CCC1COC2.CC(C)N1C2COCC3CC321.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC(C1)O2.CC(C)N1CCC1.CC(C)N1CCC2(CC2)C1.CC(C)N1CCCC1.CC(C)N1CCCC2(CC2)C1.CC(C)N1CCCCC1.CC(C)N1CCOCC1.CC(C)N1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is ZMEIQSUYSIZYCC-WQSBAWRZSA-N. The full InChI is InChI=1S/C10H19N.C9H15NO.2C9H17NO.2C9H17N.C8H15N.C8H17N.C7H15NO.C7H15N.C6H13N/c1-9(2)11-7-3-4-10(8-11)5-6-10;1-6(2)10-8-5-11-4-7-3-9(7,8)10;1-7(2)10-8-3-4-9(10)6-11-5-8;1-7(2)10-5-8-3-4-9(6-10)11-8;1-7(2)10-6-8-3-4-9(10)5-8;1-8(2)10-6-5-9(7-10)3-4-9;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)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h9H,3-8H2,1-2H3;6-8H,3-5H2,1-2H3;2*7-9H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6-8H,3-5H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3/t;;;;8-,9+;;;;;;/m....0....../s1.
What are the key properties of (1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 1489.49 g/mol, XLogP of 15.96, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 162158735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).