[(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

C199H380N38O7 — CID 158359404

IUPAC[(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
SMILESCC(C)N1CC(CN)C1.CC(C)N1CC(CO)C1.CC(C)N1CC(Oc2ccccn2)C1.CC(C)N1CCC(C#N)CC1.CC(C)N1CCC(C)(C#N)C1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCCC(O)C1.CC(C)N1CCC[C@@H](N)C1.CC(C)N1CCC[C@H]1C#N.CC(C)N1CCC[C@H]1CN.CC(C)N1CCC[C@H]1CN1CCCC1.CC(C)N1CCC[C@H]1CO.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](N)C1.CC(C)N1CC[C@H](N)C1.CC(C)N1C[C@@H](N)C2(CC2)C1.CC(C)N1C[C@@H](N)C[C@H]1CO
InChIInChI=1S/C13H19NO.C13H19N.C12H24N2.C12H18N2.C11H17N3.C11H16N2O.C9H18N2.2C9H16N2.C8H18N2O.3C8H18N2.C8H14N2.3C8H17NO.C8H17N.3C7H16N2.C7H15NO/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;1-7(2)11-5-8(10)9(6-11)3-4-9;1-8(2)11-5-4-9(3,6-10)7-11;1-8(2)11-5-3-9(7-10)4-6-11;1-6(2)10-4-7(9)3-8(10)5-11;1-7(2)10-5-3-8(9)4-6-10;1-7(2)10-5-3-4-8(9)6-10;2*1-7(2)10-5-3-4-8(10)6-9;1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-5-3-4-8(9)6-10;1-7(2)9-5-3-4-8(10)6-9;1-7(2)9-5-4-8(3)6-9;1-6(2)9-4-7(3-8)5-9;2*1-6(2)9-4-3-7(8)5-9;1-6(2)8-3-7(4-8)5-9/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;7-8H,3-6,10H2,1-2H3;8H,4-5,7H2,1-3H3;8-9H,3-6H2,1-2H3;6-8,11H,3-5,9H2,1-2H3;3*7-8H,3-6,9H2,1-2H3;7-8H,3-5H2,1-2H3;3*7-8,10H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;3*6-7H,3-5,8H2,1-2H3;6-7,9H,3-5H2,1-2H3/t;;12-;;;;8-;;;7-,8-;;3*8-;;8-;;8-;;2*7-;/m..0...1..0.100.0.1.10./s1
InChIKeyGTGZTTMBUMSWGJ-WUUNTLPXSA-N
MW3417.49 g/mol
LogP26.35
Rot. Bonds36

About [(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

[(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 (PubChem CID 158359404) has the molecular formula C199H380N38O7 and a molecular weight of 3417.49 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID158359404
Molecular FormulaC199H380N38O7
Molecular Weight3417.49 g/mol
Exact Mass3415.05
IUPAC Name[(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
SMILESCC(C)N1CC(CN)C1.CC(C)N1CC(CO)C1.CC(C)N1CC(Oc2ccccn2)C1.CC(C)N1CCC(C#N)CC1.CC(C)N1CCC(C)(C#N)C1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCCC(O)C1.CC(C)N1CCC[C@@H](N)C1.CC(C)N1CCC[C@H]1C#N.CC(C)N1CCC[C@H]1CN.CC(C)N1CCC[C@H]1CN1CCCC1.CC(C)N1CCC[C@H]1CO.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](N)C1.CC(C)N1CC[C@H](N)C1.CC(C)N1C[C@@H](N)C2(CC2)C1.CC(C)N1C[C@@H](N)C[C@H]1CO
InChIInChI=1S/C13H19NO.C13H19N.C12H24N2.C12H18N2.C11H17N3.C11H16N2O.C9H18N2.2C9H16N2.C8H18N2O.3C8H18N2.C8H14N2.3C8H17NO.C8H17N.3C7H16N2.C7H15NO/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;1-7(2)11-5-8(10)9(6-11)3-4-9;1-8(2)11-5-4-9(3,6-10)7-11;1-8(2)11-5-3-9(7-10)4-6-11;1-6(2)10-4-7(9)3-8(10)5-11;1-7(2)10-5-3-8(9)4-6-10;1-7(2)10-5-3-4-8(9)6-10;2*1-7(2)10-5-3-4-8(10)6-9;1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-5-3-4-8(9)6-10;1-7(2)9-5-3-4-8(10)6-9;1-7(2)9-5-4-8(3)6-9;1-6(2)9-4-7(3-8)5-9;2*1-6(2)9-4-3-7(8)5-9;1-6(2)8-3-7(4-8)5-9/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;7-8H,3-6,10H2,1-2H3;8H,4-5,7H2,1-3H3;8-9H,3-6H2,1-2H3;6-8,11H,3-5,9H2,1-2H3;3*7-8H,3-6,9H2,1-2H3;7-8H,3-5H2,1-2H3;3*7-8,10H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;3*6-7H,3-5,8H2,1-2H3;6-7,9H,3-5H2,1-2H3/t;;12-;;;;8-;;;7-,8-;;3*8-;;8-;;8-;;2*7-;/m..0...1..0.100.0.1.10./s1
InChIKeyGTGZTTMBUMSWGJ-WUUNTLPXSA-N
XLogP26.35
TPSA525.22 Ų
H-Bond Donors13
H-Bond Acceptors45
Rotatable Bonds36
Heavy Atoms244
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003417.49
LogP ≤ 526.35
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1045

Analyze [(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC(C)N1CC(CN)C1.CC(C)N1CC(CO)C1.CC(C)N1CC(Oc2ccccn2)C1.CC(C)N1CCC(C#N)CC1.CC(C)N1CCC(C)(C#N)C1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCCC(O)C1.CC(C)N1CCC[C@@H](N)C1.CC(C)N1CCC[C@H]1C#N.CC(C)N1CCC[C@H]1CN.CC(C)N1CCC[C@H]1CN1CCCC1.CC(C)N1CCC[C@H]1CO.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@@H](N)C1.CC(C)N1CC[C@H](N)C1.CC(C)N1C[C@@H](N)C2(CC2)C1.CC(C)N1C[C@@H](N)C[C@H]1CO.
What is the InChIKey of [(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?
The InChIKey is GTGZTTMBUMSWGJ-WUUNTLPXSA-N. The full InChI is InChI=1S/C13H19NO.C13H19N.C12H24N2.C12H18N2.C11H17N3.C11H16N2O.C9H18N2.2C9H16N2.C8H18N2O.3C8H18N2.C8H14N2.3C8H17NO.C8H17N.3C7H16N2.C7H15NO/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;1-7(2)11-5-8(10)9(6-11)3-4-9;1-8(2)11-5-4-9(3,6-10)7-11;1-8(2)11-5-3-9(7-10)4-6-11;1-6(2)10-4-7(9)3-8(10)5-11;1-7(2)10-5-3-8(9)4-6-10;1-7(2)10-5-3-4-8(9)6-10;2*1-7(2)10-5-3-4-8(10)6-9;1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-5-3-4-8(9)6-10;1-7(2)9-5-3-4-8(10)6-9;1-7(2)9-5-4-8(3)6-9;1-6(2)9-4-7(3-8)5-9;2*1-6(2)9-4-3-7(8)5-9;1-6(2)8-3-7(4-8)5-9/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;7-8H,3-6,10H2,1-2H3;8H,4-5,7H2,1-3H3;8-9H,3-6H2,1-2H3;6-8,11H,3-5,9H2,1-2H3;3*7-8H,3-6,9H2,1-2H3;7-8H,3-5H2,1-2H3;3*7-8,10H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;3*6-7H,3-5,8H2,1-2H3;6-7,9H,3-5H2,1-2H3/t;;12-;;;;8-;;;7-,8-;;3*8-;;8-;;8-;;2*7-;/m..0...1..0.100.0.1.10./s1.
What are the key properties of [(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?
[(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 has a molecular weight of 3417.49 g/mol, XLogP of 26.35, 36 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 158359404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).