3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;2-methyl-1-propan-2-yl-4,5-dihydroimidazole;N-methyl-N-propan-2-ylpropan-1-amine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;N-propan-2-ylbutan-2-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine

C174H346F2N36O9 — CID 158702910

IUPAC3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;2-methyl-1-propan-2-yl-4,5-dihydroimidazole;N-methyl-N-propan-2-ylpropan-1-amine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;N-propan-2-ylbutan-2-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
SMILESC.C.C.C#CC1CN(C(C)C)CC1N.C=C1CN(C(C)C)C1.CC(C)C(N)C(=O)OC1CN(C(C)C)C1.CC(C)N1CC(OC(=O)C2CCCN2)C1.CC(C)N1CC(OC(=O)CN)C1.CC(C)N1CC2C(N)C2C1.CC(C)N1CCC(CO)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCCC1C#N.CC1=NCCN1C(C)C.CC1CN(C(C)C)CC1C#N.CC1CN(C(C)C)CC1N.CC1CN(C(C)C)CC1N=[N+]=[N-].CC1CN(C(C)C)CC1O.CCC(C)NC(C)C.CCC1CCN(C(C)C)C1.CCCN(C)C(C)C.COC1CN(C(C)C)CC1N
InChIInChI=1S/C12H18N2.C11H17N3.C11H20N2O2.C11H22N2O2.2C9H16N2.C9H19N.C8H16N4.C8H16N2O2.C8H18N2O.C8H16N2.C8H18N2.C8H14N2.2C8H17NO.C7H13F2N.C7H14N2.C7H13N.2C7H17N.3CH4/c1-10(2)14-8-6-11(9-14)12-5-3-4-7-13-12;1-9(2)14-7-4-10(8-14)11-12-5-3-6-13-11;1-8(2)13-6-9(7-13)15-11(14)10-4-3-5-12-10;1-7(2)10(12)11(14)15-9-5-13(6-9)8(3)4;1-7(2)11-5-8(3)9(4-10)6-11;1-4-8-5-11(7(2)3)6-9(8)10;1-4-9-5-6-10(7-9)8(2)3;1-6(2)12-4-7(3)8(5-12)10-11-9;1-6(2)10-4-7(5-10)12-8(11)3-9;1-6(2)10-4-7(9)8(5-10)11-3;1-5(2)10-3-6-7(4-10)8(6)9;1-6(2)10-4-7(3)8(9)5-10;1-7(2)10-5-3-4-8(10)6-9;1-6(2)9-4-7(3)8(10)5-9;1-7(2)9-4-3-8(5-9)6-10;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-5-4-8-7(9)3;1-6(2)8-4-7(3)5-8;1-5-6-8(4)7(2)3;1-5-7(4)8-6(2)3;;;/h3-5,7,10-11H,6,8-9H2,1-2H3;3,5-6,9-10H,4,7-8H2,1-2H3;8-10,12H,3-7H2,1-2H3;7-10H,5-6,12H2,1-4H3;7-9H,5-6H2,1-3H3;1,7-9H,5-6,10H2,2-3H3;8-9H,4-7H2,1-3H3;6-8H,4-5H2,1-3H3;6-7H,3-5,9H2,1-2H3;6-8H,4-5,9H2,1-3H3;5-8H,3-4,9H2,1-2H3;6-8H,4-5,9H2,1-3H3;7-8H,3-5H2,1-2H3;6-8,10H,4-5H2,1-3H3;7-8,10H,3-6H2,1-2H3;6H,3-5H2,1-2H3;6H,4-5H2,1-3H3;6H,3-5H2,1-2H3;7H,5-6H2,1-4H3;6-8H,5H2,1-4H3;3*1H4
InChIKeyIHTPNOFXZGFTLQ-UHFFFAOYSA-N
MW3124.92 g/mol
LogP23.81
Rot. Bonds37

About 3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;2-methyl-1-propan-2-yl-4,5-dihydroimidazole;N-methyl-N-propan-2-ylpropan-1-amine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;N-propan-2-ylbutan-2-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine

3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;2-methyl-1-propan-2-yl-4,5-dihydroimidazole;N-methyl-N-propan-2-ylpropan-1-amine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;N-propan-2-ylbutan-2-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine (PubChem CID 158702910) has the molecular formula C174H346F2N36O9 and a molecular weight of 3124.92 g/mol. Its IUPAC name is 3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;2-methyl-1-propan-2-yl-4,5-dihydroimidazole;N-methyl-N-propan-2-ylpropan-1-amine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;N-propan-2-ylbutan-2-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine.

Molecular Properties

Compound Name3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;2-methyl-1-propan-2-yl-4,5-dihydroimidazole;N-methyl-N-propan-2-ylpropan-1-amine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;N-propan-2-ylbutan-2-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
PubChem CID158702910
Molecular FormulaC174H346F2N36O9
Molecular Weight3124.92 g/mol
Exact Mass3122.77
IUPAC Name3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;2-methyl-1-propan-2-yl-4,5-dihydroimidazole;N-methyl-N-propan-2-ylpropan-1-amine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;N-propan-2-ylbutan-2-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
SMILESC.C.C.C#CC1CN(C(C)C)CC1N.C=C1CN(C(C)C)C1.CC(C)C(N)C(=O)OC1CN(C(C)C)C1.CC(C)N1CC(OC(=O)C2CCCN2)C1.CC(C)N1CC(OC(=O)CN)C1.CC(C)N1CC2C(N)C2C1.CC(C)N1CCC(CO)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCCC1C#N.CC1=NCCN1C(C)C.CC1CN(C(C)C)CC1C#N.CC1CN(C(C)C)CC1N.CC1CN(C(C)C)CC1N=[N+]=[N-].CC1CN(C(C)C)CC1O.CCC(C)NC(C)C.CCC1CCN(C(C)C)C1.CCCN(C)C(C)C.COC1CN(C(C)C)CC1N
InChIInChI=1S/C12H18N2.C11H17N3.C11H20N2O2.C11H22N2O2.2C9H16N2.C9H19N.C8H16N4.C8H16N2O2.C8H18N2O.C8H16N2.C8H18N2.C8H14N2.2C8H17NO.C7H13F2N.C7H14N2.C7H13N.2C7H17N.3CH4/c1-10(2)14-8-6-11(9-14)12-5-3-4-7-13-12;1-9(2)14-7-4-10(8-14)11-12-5-3-6-13-11;1-8(2)13-6-9(7-13)15-11(14)10-4-3-5-12-10;1-7(2)10(12)11(14)15-9-5-13(6-9)8(3)4;1-7(2)11-5-8(3)9(4-10)6-11;1-4-8-5-11(7(2)3)6-9(8)10;1-4-9-5-6-10(7-9)8(2)3;1-6(2)12-4-7(3)8(5-12)10-11-9;1-6(2)10-4-7(5-10)12-8(11)3-9;1-6(2)10-4-7(9)8(5-10)11-3;1-5(2)10-3-6-7(4-10)8(6)9;1-6(2)10-4-7(3)8(9)5-10;1-7(2)10-5-3-4-8(10)6-9;1-6(2)9-4-7(3)8(10)5-9;1-7(2)9-4-3-8(5-9)6-10;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-5-4-8-7(9)3;1-6(2)8-4-7(3)5-8;1-5-6-8(4)7(2)3;1-5-7(4)8-6(2)3;;;/h3-5,7,10-11H,6,8-9H2,1-2H3;3,5-6,9-10H,4,7-8H2,1-2H3;8-10,12H,3-7H2,1-2H3;7-10H,5-6,12H2,1-4H3;7-9H,5-6H2,1-3H3;1,7-9H,5-6,10H2,2-3H3;8-9H,4-7H2,1-3H3;6-8H,4-5H2,1-3H3;6-7H,3-5,9H2,1-2H3;6-8H,4-5,9H2,1-3H3;5-8H,3-4,9H2,1-2H3;6-8H,4-5,9H2,1-3H3;7-8H,3-5H2,1-2H3;6-8,10H,4-5H2,1-3H3;7-8,10H,3-6H2,1-2H3;6H,3-5H2,1-2H3;6H,4-5H2,1-3H3;6H,3-5H2,1-2H3;7H,5-6H2,1-4H3;6-8H,5H2,1-4H3;3*1H4
InChIKeyIHTPNOFXZGFTLQ-UHFFFAOYSA-N
XLogP23.81
TPSA517.70 Ų
H-Bond Donors10
H-Bond Acceptors43
Rotatable Bonds37
Heavy Atoms221
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003124.92
LogP ≤ 523.81
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;2-methyl-1-propan-2-yl-4,5-dihydroimidazole;N-methyl-N-propan-2-ylpropan-1-amine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;N-propan-2-ylbutan-2-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;2-methyl-1-propan-2-yl-4,5-dihydroimidazole;N-methyl-N-propan-2-ylpropan-1-amine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;N-propan-2-ylbutan-2-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?
The IUPAC name of 3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;2-methyl-1-propan-2-yl-4,5-dihydroimidazole;N-methyl-N-propan-2-ylpropan-1-amine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;N-propan-2-ylbutan-2-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine (CID 158702910) is 3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;2-methyl-1-propan-2-yl-4,5-dihydroimidazole;N-methyl-N-propan-2-ylpropan-1-amine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;N-propan-2-ylbutan-2-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine.
What is the SMILES notation for 3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;2-methyl-1-propan-2-yl-4,5-dihydroimidazole;N-methyl-N-propan-2-ylpropan-1-amine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;N-propan-2-ylbutan-2-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?
The canonical SMILES for 3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;2-methyl-1-propan-2-yl-4,5-dihydroimidazole;N-methyl-N-propan-2-ylpropan-1-amine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;N-propan-2-ylbutan-2-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine is C.C.C.C#CC1CN(C(C)C)CC1N.C=C1CN(C(C)C)C1.CC(C)C(N)C(=O)OC1CN(C(C)C)C1.CC(C)N1CC(OC(=O)C2CCCN2)C1.CC(C)N1CC(OC(=O)CN)C1.CC(C)N1CC2C(N)C2C1.CC(C)N1CCC(CO)C1.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCCC1C#N.CC1=NCCN1C(C)C.CC1CN(C(C)C)CC1C#N.CC1CN(C(C)C)CC1N.CC1CN(C(C)C)CC1N=[N+]=[N-].CC1CN(C(C)C)CC1O.CCC(C)NC(C)C.CCC1CCN(C(C)C)C1.CCCN(C)C(C)C.COC1CN(C(C)C)CC1N.
What is the InChIKey of 3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;2-methyl-1-propan-2-yl-4,5-dihydroimidazole;N-methyl-N-propan-2-ylpropan-1-amine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;N-propan-2-ylbutan-2-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?
The InChIKey is IHTPNOFXZGFTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C11H17N3.C11H20N2O2.C11H22N2O2.2C9H16N2.C9H19N.C8H16N4.C8H16N2O2.C8H18N2O.C8H16N2.C8H18N2.C8H14N2.2C8H17NO.C7H13F2N.C7H14N2.C7H13N.2C7H17N.3CH4/c1-10(2)14-8-6-11(9-14)12-5-3-4-7-13-12;1-9(2)14-7-4-10(8-14)11-12-5-3-6-13-11;1-8(2)13-6-9(7-13)15-11(14)10-4-3-5-12-10;1-7(2)10(12)11(14)15-9-5-13(6-9)8(3)4;1-7(2)11-5-8(3)9(4-10)6-11;1-4-8-5-11(7(2)3)6-9(8)10;1-4-9-5-6-10(7-9)8(2)3;1-6(2)12-4-7(3)8(5-12)10-11-9;1-6(2)10-4-7(5-10)12-8(11)3-9;1-6(2)10-4-7(9)8(5-10)11-3;1-5(2)10-3-6-7(4-10)8(6)9;1-6(2)10-4-7(3)8(9)5-10;1-7(2)10-5-3-4-8(10)6-9;1-6(2)9-4-7(3)8(10)5-9;1-7(2)9-4-3-8(5-9)6-10;1-6(2)10-4-3-7(8,9)5-10;1-6(2)9-5-4-8-7(9)3;1-6(2)8-4-7(3)5-8;1-5-6-8(4)7(2)3;1-5-7(4)8-6(2)3;;;/h3-5,7,10-11H,6,8-9H2,1-2H3;3,5-6,9-10H,4,7-8H2,1-2H3;8-10,12H,3-7H2,1-2H3;7-10H,5-6,12H2,1-4H3;7-9H,5-6H2,1-3H3;1,7-9H,5-6,10H2,2-3H3;8-9H,4-7H2,1-3H3;6-8H,4-5H2,1-3H3;6-7H,3-5,9H2,1-2H3;6-8H,4-5,9H2,1-3H3;5-8H,3-4,9H2,1-2H3;6-8H,4-5,9H2,1-3H3;7-8H,3-5H2,1-2H3;6-8,10H,4-5H2,1-3H3;7-8,10H,3-6H2,1-2H3;6H,3-5H2,1-2H3;6H,4-5H2,1-3H3;6H,3-5H2,1-2H3;7H,5-6H2,1-4H3;6-8H,5H2,1-4H3;3*1H4.
What are the key properties of 3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;2-methyl-1-propan-2-yl-4,5-dihydroimidazole;N-methyl-N-propan-2-ylpropan-1-amine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;N-propan-2-ylbutan-2-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?
3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;2-methyl-1-propan-2-yl-4,5-dihydroimidazole;N-methyl-N-propan-2-ylpropan-1-amine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;N-propan-2-ylbutan-2-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine has a molecular weight of 3124.92 g/mol, XLogP of 23.81, 37 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;4-methoxy-1-propan-2-ylpyrrolidin-3-amine;3-methylidene-1-propan-2-ylazetidine;2-methyl-1-propan-2-yl-4,5-dihydroimidazole;N-methyl-N-propan-2-ylpropan-1-amine;4-methyl-1-propan-2-ylpyrrolidin-3-amine;4-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;(1-propan-2-ylazetidin-3-yl) 2-aminoacetate;(1-propan-2-ylazetidin-3-yl) 2-amino-3-methylbutanoate;(1-propan-2-ylazetidin-3-yl) pyrrolidine-2-carboxylate;N-propan-2-ylbutan-2-amine;1-propan-2-ylpyrrolidine-2-carbonitrile;(1-propan-2-ylpyrrolidin-3-yl)methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine is sourced from PubChem (CID 158702910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).