(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine

C142H278FN31O4 — CID 158617818

IUPAC(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
SMILESC#CC1CN(C(C)C)CC1N.CC(C)N1CCC(C)(F)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCC[C@H]1C#N.CC(C)N1CC[C@H](C)C1.CC(C)N1C[C@@H](C)[C@@H](N)C1.CC(C)N1C[C@@H](C)[C@@H](N=[N+]=[N-])C1.CC(C)N1C[C@@H](C)[C@H](O)C1.CC(C)N1C[C@@H](N)C2(CC2)C1.CC(C)N1C[C@@H](N)[C@@H](C)C1.CC(C)N1C[C@H](C)[C@@H](N)C1.CC(C)N1C[C@H](C)[C@@H](O)C1.CC(C)N1C[C@H](C)[C@H](N=[N+]=[N-])C1.CC(C)[C@H](C)C(=O)OC1CN(C(C)C)C1.CC[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C12H18N2.C12H23NO2.C11H17N3.C9H18N2.C9H16N2.C9H19N.C8H16FN.2C8H16N4.3C8H18N2.C8H14N2.2C8H17NO.C8H17N/c1-10(2)14-8-6-11(9-14)12-5-3-4-7-13-12;1-8(2)10(5)12(14)15-11-6-13(7-11)9(3)4;1-9(2)14-7-4-10(8-14)11-12-5-3-6-13-11;1-7(2)11-5-8(10)9(6-11)3-4-9;1-4-8-5-11(7(2)3)6-9(8)10;1-4-9-5-6-10(7-9)8(2)3;1-7(2)10-5-4-8(3,9)6-10;2*1-6(2)12-4-7(3)8(5-12)10-11-9;3*1-6(2)10-4-7(3)8(9)5-10;1-7(2)10-5-3-4-8(10)6-9;2*1-6(2)9-4-7(3)8(10)5-9;1-7(2)9-5-4-8(3)6-9/h3-5,7,10-11H,6,8-9H2,1-2H3;8-11H,6-7H2,1-5H3;3,5-6,9-10H,4,7-8H2,1-2H3;7-8H,3-6,10H2,1-2H3;1,7-9H,5-6,10H2,2-3H3;8-9H,4-7H2,1-3H3;7H,4-6H2,1-3H3;2*6-8H,4-5H2,1-3H3;3*6-8H,4-5,9H2,1-3H3;7-8H,3-5H2,1-2H3;2*6-8,10H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3/t;10-;;8-;;9-;;4*7-,8+;7-,8-;8-;2*7-,8-;8-/m.0.1.1.101000100/s1
InChIKeyHXPMTNDMQCNERT-ZVJILKMCSA-N
MW2503.00 g/mol
LogP21.53
Rot. Bonds24

About (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine

(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine (PubChem CID 158617818) has the molecular formula C142H278FN31O4 and a molecular weight of 2503.00 g/mol. Its IUPAC name is (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine.

Molecular Properties

Compound Name(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
PubChem CID158617818
Molecular FormulaC142H278FN31O4
Molecular Weight2503.00 g/mol
Exact Mass2501.25
IUPAC Name(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
SMILESC#CC1CN(C(C)C)CC1N.CC(C)N1CCC(C)(F)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCC[C@H]1C#N.CC(C)N1CC[C@H](C)C1.CC(C)N1C[C@@H](C)[C@@H](N)C1.CC(C)N1C[C@@H](C)[C@@H](N=[N+]=[N-])C1.CC(C)N1C[C@@H](C)[C@H](O)C1.CC(C)N1C[C@@H](N)C2(CC2)C1.CC(C)N1C[C@@H](N)[C@@H](C)C1.CC(C)N1C[C@H](C)[C@@H](N)C1.CC(C)N1C[C@H](C)[C@@H](O)C1.CC(C)N1C[C@H](C)[C@H](N=[N+]=[N-])C1.CC(C)[C@H](C)C(=O)OC1CN(C(C)C)C1.CC[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C12H18N2.C12H23NO2.C11H17N3.C9H18N2.C9H16N2.C9H19N.C8H16FN.2C8H16N4.3C8H18N2.C8H14N2.2C8H17NO.C8H17N/c1-10(2)14-8-6-11(9-14)12-5-3-4-7-13-12;1-8(2)10(5)12(14)15-11-6-13(7-11)9(3)4;1-9(2)14-7-4-10(8-14)11-12-5-3-6-13-11;1-7(2)11-5-8(10)9(6-11)3-4-9;1-4-8-5-11(7(2)3)6-9(8)10;1-4-9-5-6-10(7-9)8(2)3;1-7(2)10-5-4-8(3,9)6-10;2*1-6(2)12-4-7(3)8(5-12)10-11-9;3*1-6(2)10-4-7(3)8(9)5-10;1-7(2)10-5-3-4-8(10)6-9;2*1-6(2)9-4-7(3)8(10)5-9;1-7(2)9-5-4-8(3)6-9/h3-5,7,10-11H,6,8-9H2,1-2H3;8-11H,6-7H2,1-5H3;3,5-6,9-10H,4,7-8H2,1-2H3;7-8H,3-6,10H2,1-2H3;1,7-9H,5-6,10H2,2-3H3;8-9H,4-7H2,1-3H3;7H,4-6H2,1-3H3;2*6-8H,4-5H2,1-3H3;3*6-8H,4-5,9H2,1-3H3;7-8H,3-5H2,1-2H3;2*6-8,10H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3/t;10-;;8-;;9-;;4*7-,8+;7-,8-;8-;2*7-,8-;8-/m.0.1.1.101000100/s1
InChIKeyHXPMTNDMQCNERT-ZVJILKMCSA-N
XLogP21.53
TPSA408.68 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms178
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002503.00
LogP ≤ 521.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?
The IUPAC name of (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine (CID 158617818) is (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine.
What is the SMILES notation for (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?
The canonical SMILES for (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine is C#CC1CN(C(C)C)CC1N.CC(C)N1CCC(C)(F)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCC[C@H]1C#N.CC(C)N1CC[C@H](C)C1.CC(C)N1C[C@@H](C)[C@@H](N)C1.CC(C)N1C[C@@H](C)[C@@H](N=[N+]=[N-])C1.CC(C)N1C[C@@H](C)[C@H](O)C1.CC(C)N1C[C@@H](N)C2(CC2)C1.CC(C)N1C[C@@H](N)[C@@H](C)C1.CC(C)N1C[C@H](C)[C@@H](N)C1.CC(C)N1C[C@H](C)[C@@H](O)C1.CC(C)N1C[C@H](C)[C@H](N=[N+]=[N-])C1.CC(C)[C@H](C)C(=O)OC1CN(C(C)C)C1.CC[C@@H]1CCN(C(C)C)C1.
What is the InChIKey of (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?
The InChIKey is HXPMTNDMQCNERT-ZVJILKMCSA-N. The full InChI is InChI=1S/C12H18N2.C12H23NO2.C11H17N3.C9H18N2.C9H16N2.C9H19N.C8H16FN.2C8H16N4.3C8H18N2.C8H14N2.2C8H17NO.C8H17N/c1-10(2)14-8-6-11(9-14)12-5-3-4-7-13-12;1-8(2)10(5)12(14)15-11-6-13(7-11)9(3)4;1-9(2)14-7-4-10(8-14)11-12-5-3-6-13-11;1-7(2)11-5-8(10)9(6-11)3-4-9;1-4-8-5-11(7(2)3)6-9(8)10;1-4-9-5-6-10(7-9)8(2)3;1-7(2)10-5-4-8(3,9)6-10;2*1-6(2)12-4-7(3)8(5-12)10-11-9;3*1-6(2)10-4-7(3)8(9)5-10;1-7(2)10-5-3-4-8(10)6-9;2*1-6(2)9-4-7(3)8(10)5-9;1-7(2)9-5-4-8(3)6-9/h3-5,7,10-11H,6,8-9H2,1-2H3;8-11H,6-7H2,1-5H3;3,5-6,9-10H,4,7-8H2,1-2H3;7-8H,3-6,10H2,1-2H3;1,7-9H,5-6,10H2,2-3H3;8-9H,4-7H2,1-3H3;7H,4-6H2,1-3H3;2*6-8H,4-5H2,1-3H3;3*6-8H,4-5,9H2,1-3H3;7-8H,3-5H2,1-2H3;2*6-8,10H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3/t;10-;;8-;;9-;;4*7-,8+;7-,8-;8-;2*7-,8-;8-/m.0.1.1.101000100/s1.
What are the key properties of (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?
(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine has a molecular weight of 2503.00 g/mol, XLogP of 21.53, 24 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine is sourced from PubChem (CID 158617818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).