(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane);5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C195H376N22O6 — CID 158372980

IUPAC(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane);5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]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)N1C2CCCC1CC2.CC(C)N1C2CCCC1CC2.CC(C)N1C2COCC3CC321.CC(C)N1CC2(CCC2)C1.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC(C1)O2.CC(C)N1CC2CCC(C1)O2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CC2CCC1CO2.CC(C)N1CCC1.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2CC2C1.CC(C)N1CCCC1.CC(C)N1CCCC2(CC2)C1.CC(C)N1CCCC2(CCC2)C1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCOC2(CC2)C1.CC(C)N1CCOCC1.CC(C)N1C[C@H]2CC[C@@H]1C2.CC(C)N1C[C@H]2CC[C@H]2C1
InChIInChI=1S/C11H21N.4C10H19N.C9H15NO.4C9H17NO.6C9H17N.C9H19N.C8H15N.C8H17N.C7H15NO.C7H15N.C6H13N/c1-10(2)12-8-4-7-11(9-12)5-3-6-11;1-8(2)11-6-9-3-4-10(5-9)7-11;1-9(2)11-7-3-4-10(8-11)5-6-10;2*1-8(2)11-9-4-3-5-10(11)7-6-9;1-6(2)10-8-5-11-4-7-3-9(7,8)10;1-7(2)10-5-9-4-3-8(10)6-11-9;2*1-7(2)10-5-8-3-4-9(6-10)11-8;1-8(2)10-5-6-11-9(7-10)3-4-9;1-7(2)10-5-8-3-9(4-8)6-10;1-7(2)10-4-3-8-5-9(8)6-10;1-7(2)10-5-8-3-4-9(8)6-10;1-7(2)10-6-8-3-4-9(10)5-8;1-8(2)10-6-5-9(7-10)3-4-9;1-8(2)10-6-9(7-10)4-3-5-9;1-9(2)10-7-5-3-4-6-8-10;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/h10H,3-9H2,1-2H3;8-10H,3-7H2,1-2H3;9H,3-8H2,1-2H3;2*8-10H,3-7H2,1-2H3;6-8H,3-5H2,1-2H3;3*7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;4*7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;9H,3-8H2,1-2H3;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;;;;;;;;;;;;2*8-,9+;;;;;;;;/m.............0......../s1
InChIKeyGUVQQZIIUQSBRA-IUTQKXOWSA-N
MW3125.30 g/mol
LogP37.45
Rot. Bonds22

About (1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane);5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]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;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane);5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]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 158372980) has the molecular formula C195H376N22O6 and a molecular weight of 3125.30 g/mol. Its IUPAC name is (1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane);5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]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;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane);5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID158372980
Molecular FormulaC195H376N22O6
Molecular Weight3125.30 g/mol
Exact Mass3122.98
IUPAC Name(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane);5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]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)N1C2CCCC1CC2.CC(C)N1C2CCCC1CC2.CC(C)N1C2COCC3CC321.CC(C)N1CC2(CCC2)C1.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC(C1)O2.CC(C)N1CC2CCC(C1)O2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CC2CCC1CO2.CC(C)N1CCC1.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2CC2C1.CC(C)N1CCCC1.CC(C)N1CCCC2(CC2)C1.CC(C)N1CCCC2(CCC2)C1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCOC2(CC2)C1.CC(C)N1CCOCC1.CC(C)N1C[C@H]2CC[C@@H]1C2.CC(C)N1C[C@H]2CC[C@H]2C1
InChIInChI=1S/C11H21N.4C10H19N.C9H15NO.4C9H17NO.6C9H17N.C9H19N.C8H15N.C8H17N.C7H15NO.C7H15N.C6H13N/c1-10(2)12-8-4-7-11(9-12)5-3-6-11;1-8(2)11-6-9-3-4-10(5-9)7-11;1-9(2)11-7-3-4-10(8-11)5-6-10;2*1-8(2)11-9-4-3-5-10(11)7-6-9;1-6(2)10-8-5-11-4-7-3-9(7,8)10;1-7(2)10-5-9-4-3-8(10)6-11-9;2*1-7(2)10-5-8-3-4-9(6-10)11-8;1-8(2)10-5-6-11-9(7-10)3-4-9;1-7(2)10-5-8-3-9(4-8)6-10;1-7(2)10-4-3-8-5-9(8)6-10;1-7(2)10-5-8-3-4-9(8)6-10;1-7(2)10-6-8-3-4-9(10)5-8;1-8(2)10-6-5-9(7-10)3-4-9;1-8(2)10-6-9(7-10)4-3-5-9;1-9(2)10-7-5-3-4-6-8-10;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/h10H,3-9H2,1-2H3;8-10H,3-7H2,1-2H3;9H,3-8H2,1-2H3;2*8-10H,3-7H2,1-2H3;6-8H,3-5H2,1-2H3;3*7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;4*7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;9H,3-8H2,1-2H3;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;;;;;;;;;;;;2*8-,9+;;;;;;;;/m.............0......../s1
InChIKeyGUVQQZIIUQSBRA-IUTQKXOWSA-N
XLogP37.45
TPSA126.43 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003125.30
LogP ≤ 537.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

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;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane);5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]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;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane);5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]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;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane);5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 158372980) is (1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane);5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]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;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane);5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]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;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane);5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]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)N1C2CCCC1CC2.CC(C)N1C2CCCC1CC2.CC(C)N1C2COCC3CC321.CC(C)N1CC2(CCC2)C1.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC(C1)O2.CC(C)N1CC2CCC(C1)O2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CC2CCC1CO2.CC(C)N1CCC1.CC(C)N1CCC2(CC2)C1.CC(C)N1CCC2CC2C1.CC(C)N1CCCC1.CC(C)N1CCCC2(CC2)C1.CC(C)N1CCCC2(CCC2)C1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCOC2(CC2)C1.CC(C)N1CCOCC1.CC(C)N1C[C@H]2CC[C@@H]1C2.CC(C)N1C[C@H]2CC[C@H]2C1.
What is the InChIKey of (1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane);5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]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 GUVQQZIIUQSBRA-IUTQKXOWSA-N. The full InChI is InChI=1S/C11H21N.4C10H19N.C9H15NO.4C9H17NO.6C9H17N.C9H19N.C8H15N.C8H17N.C7H15NO.C7H15N.C6H13N/c1-10(2)12-8-4-7-11(9-12)5-3-6-11;1-8(2)11-6-9-3-4-10(5-9)7-11;1-9(2)11-7-3-4-10(8-11)5-6-10;2*1-8(2)11-9-4-3-5-10(11)7-6-9;1-6(2)10-8-5-11-4-7-3-9(7,8)10;1-7(2)10-5-9-4-3-8(10)6-11-9;2*1-7(2)10-5-8-3-4-9(6-10)11-8;1-8(2)10-5-6-11-9(7-10)3-4-9;1-7(2)10-5-8-3-9(4-8)6-10;1-7(2)10-4-3-8-5-9(8)6-10;1-7(2)10-5-8-3-4-9(8)6-10;1-7(2)10-6-8-3-4-9(10)5-8;1-8(2)10-6-5-9(7-10)3-4-9;1-8(2)10-6-9(7-10)4-3-5-9;1-9(2)10-7-5-3-4-6-8-10;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/h10H,3-9H2,1-2H3;8-10H,3-7H2,1-2H3;9H,3-8H2,1-2H3;2*8-10H,3-7H2,1-2H3;6-8H,3-5H2,1-2H3;3*7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;4*7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;9H,3-8H2,1-2H3;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;;;;;;;;;;;;2*8-,9+;;;;;;;;/m.............0......../s1.
What are the key properties of (1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane);5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]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;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane);5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]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 3125.30 g/mol, XLogP of 37.45, 22 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane);5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]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 158372980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).