3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);(3R)-3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;(2S)-2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine

C176H324FN25O3 — CID 161363608

IUPAC3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);(3R)-3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;(2S)-2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
SMILESC#CC1(C)CCN(C(C)C)C1.C#C[C@@H]1CCCN1C(C)C.CC(C)N1CC(Oc2ccccn2)C1.CC(C)N1CCC(C)(F)C1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCC[C@H]1CN1CCCC1.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@H](C)C1.CC(C)N1C[C@@H](N)C2(CC2)C1.CC(C)N1C[C@H](C)[C@@H](O)C1.CCC1CN(C(C)C)C1.CC[C@@H]1CCCN1C(C)C.CC[C@@H]1CCCN1C(C)C.CC[C@@H]1CCN(C(C)C)C1.CC[C@@H]1C[C@H](N)CN1C(C)C
InChIInChI=1S/C13H19NO.C13H19N.C12H24N2.C12H18N2.C11H17N3.C11H16N2O.C10H17N.C9H18N2.C9H20N2.3C9H19N.C9H15N.C8H16FN.C8H17NO.3C8H17N/c1-11(2)14-9-8-13(10-14)15-12-6-4-3-5-7-12;1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12;1-11(2)14-9-5-6-12(14)10-13-7-3-4-8-13;1-10(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;1-9(2)13-7-10(8-13)14-11-5-3-4-6-12-11;1-5-10(4)6-7-11(8-10)9(2)3;1-7(2)11-5-8(10)9(6-11)3-4-9;1-4-9-5-8(10)6-11(9)7(2)3;1-4-9-5-6-10(7-9)8(2)3;3*1-4-9-6-5-7-10(9)8(2)3;1-7(2)10-5-4-8(3,9)6-10;1-6(2)9-4-7(3)8(10)5-9;2*1-7(2)9-5-4-8(3)6-9;1-4-8-5-9(6-8)7(2)3/h3-7,11,13H,8-10H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;11-12H,3-10H2,1-2H3;3-5,7,10-11H,6,8-9H2,1-2H3;3,5-6,9-10H,4,7-8H2,1-2H3;3-6,9-10H,7-8H2,1-2H3;1,9H,6-8H2,2-4H3;7-8H,3-6,10H2,1-2H3;7-9H,4-6,10H2,1-3H3;3*8-9H,4-7H2,1-3H3;1,8-9H,5-7H2,2-3H3;7H,4-6H2,1-3H3;6-8,10H,4-5H2,1-3H3;3*7-8H,4-6H2,1-3H3/t;;12-;;;;;8-;8-,9+;4*9-;;7-,8-;2*8-;/m..0....101111.010./s1
InChIKeyVPNCZYVXCNFBDN-IDSOQZLVSA-N
MW2857.70 g/mol
LogP32.56
Rot. Bonds32

About 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);(3R)-3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;(2S)-2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine

3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);(3R)-3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;(2S)-2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine (PubChem CID 161363608) has the molecular formula C176H324FN25O3 and a molecular weight of 2857.70 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);(3R)-3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;(2S)-2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine.

Molecular Properties

Compound Name3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);(3R)-3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;(2S)-2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
PubChem CID161363608
Molecular FormulaC176H324FN25O3
Molecular Weight2857.70 g/mol
Exact Mass2855.60
IUPAC Name3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);(3R)-3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;(2S)-2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
SMILESC#CC1(C)CCN(C(C)C)C1.C#C[C@@H]1CCCN1C(C)C.CC(C)N1CC(Oc2ccccn2)C1.CC(C)N1CCC(C)(F)C1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCC[C@H]1CN1CCCC1.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@H](C)C1.CC(C)N1C[C@@H](N)C2(CC2)C1.CC(C)N1C[C@H](C)[C@@H](O)C1.CCC1CN(C(C)C)C1.CC[C@@H]1CCCN1C(C)C.CC[C@@H]1CCCN1C(C)C.CC[C@@H]1CCN(C(C)C)C1.CC[C@@H]1C[C@H](N)CN1C(C)C
InChIInChI=1S/C13H19NO.C13H19N.C12H24N2.C12H18N2.C11H17N3.C11H16N2O.C10H17N.C9H18N2.C9H20N2.3C9H19N.C9H15N.C8H16FN.C8H17NO.3C8H17N/c1-11(2)14-9-8-13(10-14)15-12-6-4-3-5-7-12;1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12;1-11(2)14-9-5-6-12(14)10-13-7-3-4-8-13;1-10(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;1-9(2)13-7-10(8-13)14-11-5-3-4-6-12-11;1-5-10(4)6-7-11(8-10)9(2)3;1-7(2)11-5-8(10)9(6-11)3-4-9;1-4-9-5-8(10)6-11(9)7(2)3;1-4-9-5-6-10(7-9)8(2)3;3*1-4-9-6-5-7-10(9)8(2)3;1-7(2)10-5-4-8(3,9)6-10;1-6(2)9-4-7(3)8(10)5-9;2*1-7(2)9-5-4-8(3)6-9;1-4-8-5-9(6-8)7(2)3/h3-7,11,13H,8-10H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;11-12H,3-10H2,1-2H3;3-5,7,10-11H,6,8-9H2,1-2H3;3,5-6,9-10H,4,7-8H2,1-2H3;3-6,9-10H,7-8H2,1-2H3;1,9H,6-8H2,2-4H3;7-8H,3-6,10H2,1-2H3;7-9H,4-6,10H2,1-3H3;3*8-9H,4-7H2,1-3H3;1,8-9H,5-7H2,2-3H3;7H,4-6H2,1-3H3;6-8,10H,4-5H2,1-3H3;3*7-8H,4-6H2,1-3H3/t;;12-;;;;;8-;8-,9+;4*9-;;7-,8-;2*8-;/m..0....101111.010./s1
InChIKeyVPNCZYVXCNFBDN-IDSOQZLVSA-N
XLogP32.56
TPSA203.85 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds32
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002857.70
LogP ≤ 532.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);(3R)-3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;(2S)-2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine with MolForge

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Related Compounds

3,3-difluoro-1-propan-2-ylpyrrolidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2,3-dimethylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
CID 157997000
4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;[(2S,4S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol;3,3-difluoro-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
CID 158300443
4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;3,3-difluoro-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
CID 158662662
3,3-difluoro-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(3R)-3-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
CID 159358794
CID 159721368
CID 159721368
4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;[(2S,4S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol;3,3-difluoro-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;(3S,4S)-1-propan-2-ylpyrrolidine-3,4-diol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;bis(2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine)
CID 159957341
[(2S,4S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-methyl-1-propan-2-ylpyrrolidine-3-carbonitrile;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;(1-propan-2-ylazetidin-3-yl)methanamine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-4-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(3R)-1-propan-2-ylpyrrolidin-3-amine;(3S)-1-propan-2-ylpyrrolidin-3-amine;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
CID 158359404
3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;(3R)-N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 161486430
5-(Azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;methane;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;bis(2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine);2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 161743254

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);(3R)-3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;(2S)-2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?
The IUPAC name of 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);(3R)-3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;(2S)-2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine (CID 161363608) is 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);(3R)-3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;(2S)-2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine.
What is the SMILES notation for 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);(3R)-3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;(2S)-2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?
The canonical SMILES for 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);(3R)-3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;(2S)-2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine is C#CC1(C)CCN(C(C)C)C1.C#C[C@@H]1CCCN1C(C)C.CC(C)N1CC(Oc2ccccn2)C1.CC(C)N1CCC(C)(F)C1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCC[C@H]1CN1CCCC1.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@H](C)C1.CC(C)N1C[C@@H](N)C2(CC2)C1.CC(C)N1C[C@H](C)[C@@H](O)C1.CCC1CN(C(C)C)C1.CC[C@@H]1CCCN1C(C)C.CC[C@@H]1CCCN1C(C)C.CC[C@@H]1CCN(C(C)C)C1.CC[C@@H]1C[C@H](N)CN1C(C)C.
What is the InChIKey of 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);(3R)-3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;(2S)-2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?
The InChIKey is VPNCZYVXCNFBDN-IDSOQZLVSA-N. The full InChI is InChI=1S/C13H19NO.C13H19N.C12H24N2.C12H18N2.C11H17N3.C11H16N2O.C10H17N.C9H18N2.C9H20N2.3C9H19N.C9H15N.C8H16FN.C8H17NO.3C8H17N/c1-11(2)14-9-8-13(10-14)15-12-6-4-3-5-7-12;1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12;1-11(2)14-9-5-6-12(14)10-13-7-3-4-8-13;1-10(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;1-9(2)13-7-10(8-13)14-11-5-3-4-6-12-11;1-5-10(4)6-7-11(8-10)9(2)3;1-7(2)11-5-8(10)9(6-11)3-4-9;1-4-9-5-8(10)6-11(9)7(2)3;1-4-9-5-6-10(7-9)8(2)3;3*1-4-9-6-5-7-10(9)8(2)3;1-7(2)10-5-4-8(3,9)6-10;1-6(2)9-4-7(3)8(10)5-9;2*1-7(2)9-5-4-8(3)6-9;1-4-8-5-9(6-8)7(2)3/h3-7,11,13H,8-10H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;11-12H,3-10H2,1-2H3;3-5,7,10-11H,6,8-9H2,1-2H3;3,5-6,9-10H,4,7-8H2,1-2H3;3-6,9-10H,7-8H2,1-2H3;1,9H,6-8H2,2-4H3;7-8H,3-6,10H2,1-2H3;7-9H,4-6,10H2,1-3H3;3*8-9H,4-7H2,1-3H3;1,8-9H,5-7H2,2-3H3;7H,4-6H2,1-3H3;6-8,10H,4-5H2,1-3H3;3*7-8H,4-6H2,1-3H3/t;;12-;;;;;8-;8-,9+;4*9-;;7-,8-;2*8-;/m..0....101111.010./s1.
What are the key properties of 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);(3R)-3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;(2S)-2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?
3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);(3R)-3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;(2S)-2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine has a molecular weight of 2857.70 g/mol, XLogP of 32.56, 32 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);(3R)-3-ethyl-1-propan-2-ylpyrrolidine;3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;(2S)-2-ethynyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(7S)-5-propan-2-yl-5-azaspiro[2.4]heptan-7-amine;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine is sourced from PubChem (CID 161363608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).