3-tert-butyl-3-azabicyclo[3.1.0]hexane;N-tert-butyl-N,1-dimethylazetidin-3-amine;N'-tert-butyl-N,N'-dimethylethane-1,2-diamine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;1-[tert-butyl(methyl)amino]-3-fluoropropan-2-ol;2-[tert-butyl(methyl)amino]-N-methylacetamide;1-[tert-butyl(methyl)amino]-2-methylpropan-2-ol;1-[tert-butyl(methyl)amino]propan-2-ol;(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;N-tert-butyl-N-methylazetidin-3-amine;N-tert-butyl-N-methyloxetan-3-amine;N-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;N-(cyclopropylmethyl)-N-methylpropan-2-amine;N,2-dimethyl-N-propylpropan-2-amine;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetamide;N-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;1-propan-2-ylazetidin-3-ol;1-propan-2-ylpiperidine

C228H500F9N35O14 — CID 158791915

IUPAC3-tert-butyl-3-azabicyclo[3.1.0]hexane;N-tert-butyl-N,1-dimethylazetidin-3-amine;N'-tert-butyl-N,N'-dimethylethane-1,2-diamine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;1-[tert-butyl(methyl)amino]-3-fluoropropan-2-ol;2-[tert-butyl(methyl)amino]-N-methylacetamide;1-[tert-butyl(methyl)amino]-2-methylpropan-2-ol;1-[tert-butyl(methyl)amino]propan-2-ol;(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;N-tert-butyl-N-methylazetidin-3-amine;N-tert-butyl-N-methyloxetan-3-amine;N-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;N-(cyclopropylmethyl)-N-methylpropan-2-amine;N,2-dimethyl-N-propylpropan-2-amine;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetamide;N-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;1-propan-2-ylazetidin-3-ol;1-propan-2-ylpiperidine
SMILESCC(C)(C)N1CC2CC2C1.CC(C)(C)N1CCC(F)C1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCC(O)C1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[C@@H](O)C1.CC(C)(C)N1CC[C@H](O)C1.CC(C)N(C)C(C)C.CC(C)N(C)CC(N)=O.CC(C)N(C)CC1CC1.CC(C)N1CC(O)C1.CC(C)N1CCCCC1.CC(O)CN(C)C(C)(C)C.CC1CCCN1C(C)(C)C.CCCN(C)C(C)(C)C.CCCNC(C)(C)C.CN(C1CCNCC1)C(C)(C)C.CN(C1CNC1)C(C)(C)C.CN(C1COC1)C(C)(C)C.CN(CC(C)(C)O)C(C)(C)C.CN(CC(O)CF)C(C)(C)C.CN(C[C@@H](O)C(F)(F)F)C(C)(C)C.CN(C[C@H](O)C(F)(F)F)C(C)(C)C.CN1CC(N(C)C(C)(C)C)C1.CN1CCC(N(C)C(C)(C)C)CC1.CNC(=O)CN(C)C(C)(C)C.CNCCN(C)C(C)(C)C.COCCN(C)C(C)(C)C
InChIInChI=1S/C11H24N2.C10H22N2.C9H18FN.C9H20N2.C9H21NO.C9H17N.C9H19N.2C8H16F3NO.C8H18FNO.C8H16FN.C8H18N2O.C8H18N2.C8H20N2.5C8H17NO.2C8H19NO.2C8H17N.C8H19N.2C7H17N.C6H14N2O.C6H13NO/c1-11(2,3)13(5)10-6-8-12(4)9-7-10;1-10(2,3)12(4)9-5-7-11-8-6-9;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)11(5)8-6-10(4)7-8;1-8(2,3)10(6)7-9(4,5)11;1-9(2,3)10-5-7-4-8(7)6-10;1-8-6-5-7-10(8)9(2,3)4;2*1-7(2,3)12(4)5-6(13)8(9,10)11;1-8(2,3)10(4)6-7(11)5-9;1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)10(5)6-7(11)9-4;1-8(2,3)10(4)7-5-9-6-7;1-8(2,3)10(5)7-6-9-4;1-8(2,3)9(4)7-5-10-6-7;1-8(2,3)9-4-6-10-7-5-9;3*1-8(2,3)9-5-4-7(10)6-9;1-8(2,3)9(4)6-7-10-5;1-7(10)6-9(5)8(2,3)4;1-7(2)9(3)6-8-4-5-8;1-8(2)9-6-4-3-5-7-9;1-6-7-9(5)8(2,3)4;1-6(2)8(5)7(3)4;1-5-6-8-7(2,3)4;1-5(2)8(3)4-6(7)9;1-5(2)7-3-6(8)4-7/h10H,6-9H2,1-5H3;9,11H,5-8H2,1-4H3;8H,4-7H2,1-3H3;8H,6-7H2,1-5H3;11H,7H2,1-6H3;7-8H,4-6H2,1-3H3;8H,5-7H2,1-4H3;2*6,13H,5H2,1-4H3;7,11H,5-6H2,1-4H3;7H,4-6H2,1-3H3;6H2,1-5H3,(H,9,11);7,9H,5-6H2,1-4H3;9H,6-7H2,1-5H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;3*7,10H,4-6H2,1-3H3;6-7H2,1-5H3;7,10H,6H2,1-5H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;6-7H2,1-5H3;6-7H,1-5H3;8H,5-6H2,1-4H3;5H,4H2,1-3H3,(H2,7,9);5-6,8H,3-4H2,1-2H3/t;;;;;;;2*6-;;;;;;;;2*7-;;;;;;;;;;/m.......10.......10........../s1
InChIKeyISJQHCAZWFYZRY-HGPKHKACSA-N
MW4127.72 g/mol
LogP36.66
Rot. Bonds38

About 3-tert-butyl-3-azabicyclo[3.1.0]hexane;N-tert-butyl-N,1-dimethylazetidin-3-amine;N'-tert-butyl-N,N'-dimethylethane-1,2-diamine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;1-[tert-butyl(methyl)amino]-3-fluoropropan-2-ol;2-[tert-butyl(methyl)amino]-N-methylacetamide;1-[tert-butyl(methyl)amino]-2-methylpropan-2-ol;1-[tert-butyl(methyl)amino]propan-2-ol;(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;N-tert-butyl-N-methylazetidin-3-amine;N-tert-butyl-N-methyloxetan-3-amine;N-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;N-(cyclopropylmethyl)-N-methylpropan-2-amine;N,2-dimethyl-N-propylpropan-2-amine;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetamide;N-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;1-propan-2-ylazetidin-3-ol;1-propan-2-ylpiperidine

3-tert-butyl-3-azabicyclo[3.1.0]hexane;N-tert-butyl-N,1-dimethylazetidin-3-amine;N'-tert-butyl-N,N'-dimethylethane-1,2-diamine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;1-[tert-butyl(methyl)amino]-3-fluoropropan-2-ol;2-[tert-butyl(methyl)amino]-N-methylacetamide;1-[tert-butyl(methyl)amino]-2-methylpropan-2-ol;1-[tert-butyl(methyl)amino]propan-2-ol;(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;N-tert-butyl-N-methylazetidin-3-amine;N-tert-butyl-N-methyloxetan-3-amine;N-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;N-(cyclopropylmethyl)-N-methylpropan-2-amine;N,2-dimethyl-N-propylpropan-2-amine;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetamide;N-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;1-propan-2-ylazetidin-3-ol;1-propan-2-ylpiperidine (PubChem CID 158791915) has the molecular formula C228H500F9N35O14 and a molecular weight of 4127.72 g/mol. Its IUPAC name is 3-tert-butyl-3-azabicyclo[3.1.0]hexane;N-tert-butyl-N,1-dimethylazetidin-3-amine;N'-tert-butyl-N,N'-dimethylethane-1,2-diamine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;1-[tert-butyl(methyl)amino]-3-fluoropropan-2-ol;2-[tert-butyl(methyl)amino]-N-methylacetamide;1-[tert-butyl(methyl)amino]-2-methylpropan-2-ol;1-[tert-butyl(methyl)amino]propan-2-ol;(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;N-tert-butyl-N-methylazetidin-3-amine;N-tert-butyl-N-methyloxetan-3-amine;N-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;N-(cyclopropylmethyl)-N-methylpropan-2-amine;N,2-dimethyl-N-propylpropan-2-amine;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetamide;N-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;1-propan-2-ylazetidin-3-ol;1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-tert-butyl-3-azabicyclo[3.1.0]hexane;N-tert-butyl-N,1-dimethylazetidin-3-amine;N'-tert-butyl-N,N'-dimethylethane-1,2-diamine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;1-[tert-butyl(methyl)amino]-3-fluoropropan-2-ol;2-[tert-butyl(methyl)amino]-N-methylacetamide;1-[tert-butyl(methyl)amino]-2-methylpropan-2-ol;1-[tert-butyl(methyl)amino]propan-2-ol;(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;N-tert-butyl-N-methylazetidin-3-amine;N-tert-butyl-N-methyloxetan-3-amine;N-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;N-(cyclopropylmethyl)-N-methylpropan-2-amine;N,2-dimethyl-N-propylpropan-2-amine;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetamide;N-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;1-propan-2-ylazetidin-3-ol;1-propan-2-ylpiperidine
PubChem CID158791915
Molecular FormulaC228H500F9N35O14
Molecular Weight4127.72 g/mol
Exact Mass4124.93
IUPAC Name3-tert-butyl-3-azabicyclo[3.1.0]hexane;N-tert-butyl-N,1-dimethylazetidin-3-amine;N'-tert-butyl-N,N'-dimethylethane-1,2-diamine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;1-[tert-butyl(methyl)amino]-3-fluoropropan-2-ol;2-[tert-butyl(methyl)amino]-N-methylacetamide;1-[tert-butyl(methyl)amino]-2-methylpropan-2-ol;1-[tert-butyl(methyl)amino]propan-2-ol;(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;N-tert-butyl-N-methylazetidin-3-amine;N-tert-butyl-N-methyloxetan-3-amine;N-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;N-(cyclopropylmethyl)-N-methylpropan-2-amine;N,2-dimethyl-N-propylpropan-2-amine;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetamide;N-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;1-propan-2-ylazetidin-3-ol;1-propan-2-ylpiperidine
SMILESCC(C)(C)N1CC2CC2C1.CC(C)(C)N1CCC(F)C1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCC(O)C1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[C@@H](O)C1.CC(C)(C)N1CC[C@H](O)C1.CC(C)N(C)C(C)C.CC(C)N(C)CC(N)=O.CC(C)N(C)CC1CC1.CC(C)N1CC(O)C1.CC(C)N1CCCCC1.CC(O)CN(C)C(C)(C)C.CC1CCCN1C(C)(C)C.CCCN(C)C(C)(C)C.CCCNC(C)(C)C.CN(C1CCNCC1)C(C)(C)C.CN(C1CNC1)C(C)(C)C.CN(C1COC1)C(C)(C)C.CN(CC(C)(C)O)C(C)(C)C.CN(CC(O)CF)C(C)(C)C.CN(C[C@@H](O)C(F)(F)F)C(C)(C)C.CN(C[C@H](O)C(F)(F)F)C(C)(C)C.CN1CC(N(C)C(C)(C)C)C1.CN1CCC(N(C)C(C)(C)C)CC1.CNC(=O)CN(C)C(C)(C)C.CNCCN(C)C(C)(C)C.COCCN(C)C(C)(C)C
InChIInChI=1S/C11H24N2.C10H22N2.C9H18FN.C9H20N2.C9H21NO.C9H17N.C9H19N.2C8H16F3NO.C8H18FNO.C8H16FN.C8H18N2O.C8H18N2.C8H20N2.5C8H17NO.2C8H19NO.2C8H17N.C8H19N.2C7H17N.C6H14N2O.C6H13NO/c1-11(2,3)13(5)10-6-8-12(4)9-7-10;1-10(2,3)12(4)9-5-7-11-8-6-9;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)11(5)8-6-10(4)7-8;1-8(2,3)10(6)7-9(4,5)11;1-9(2,3)10-5-7-4-8(7)6-10;1-8-6-5-7-10(8)9(2,3)4;2*1-7(2,3)12(4)5-6(13)8(9,10)11;1-8(2,3)10(4)6-7(11)5-9;1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)10(5)6-7(11)9-4;1-8(2,3)10(4)7-5-9-6-7;1-8(2,3)10(5)7-6-9-4;1-8(2,3)9(4)7-5-10-6-7;1-8(2,3)9-4-6-10-7-5-9;3*1-8(2,3)9-5-4-7(10)6-9;1-8(2,3)9(4)6-7-10-5;1-7(10)6-9(5)8(2,3)4;1-7(2)9(3)6-8-4-5-8;1-8(2)9-6-4-3-5-7-9;1-6-7-9(5)8(2,3)4;1-6(2)8(5)7(3)4;1-5-6-8-7(2,3)4;1-5(2)8(3)4-6(7)9;1-5(2)7-3-6(8)4-7/h10H,6-9H2,1-5H3;9,11H,5-8H2,1-4H3;8H,4-7H2,1-3H3;8H,6-7H2,1-5H3;11H,7H2,1-6H3;7-8H,4-6H2,1-3H3;8H,5-7H2,1-4H3;2*6,13H,5H2,1-4H3;7,11H,5-6H2,1-4H3;7H,4-6H2,1-3H3;6H2,1-5H3,(H,9,11);7,9H,5-6H2,1-4H3;9H,6-7H2,1-5H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;3*7,10H,4-6H2,1-3H3;6-7H2,1-5H3;7,10H,6H2,1-5H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;6-7H2,1-5H3;6-7H,1-5H3;8H,5-6H2,1-4H3;5H,4H2,1-3H3,(H2,7,9);5-6,8H,3-4H2,1-2H3/t;;;;;;;2*6-;;;;;;;;2*7-;;;;;;;;;;/m.......10.......10........../s1
InChIKeyISJQHCAZWFYZRY-HGPKHKACSA-N
XLogP36.66
TPSA424.03 Ų
H-Bond Donors15
H-Bond Acceptors47
Rotatable Bonds38
Heavy Atoms286
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004127.72
LogP ≤ 536.66
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1047

Analyze 3-tert-butyl-3-azabicyclo[3.1.0]hexane;N-tert-butyl-N,1-dimethylazetidin-3-amine;N'-tert-butyl-N,N'-dimethylethane-1,2-diamine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;1-[tert-butyl(methyl)amino]-3-fluoropropan-2-ol;2-[tert-butyl(methyl)amino]-N-methylacetamide;1-[tert-butyl(methyl)amino]-2-methylpropan-2-ol;1-[tert-butyl(methyl)amino]propan-2-ol;(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;N-tert-butyl-N-methylazetidin-3-amine;N-tert-butyl-N-methyloxetan-3-amine;N-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;N-(cyclopropylmethyl)-N-methylpropan-2-amine;N,2-dimethyl-N-propylpropan-2-amine;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetamide;N-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;1-propan-2-ylazetidin-3-ol;1-propan-2-ylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-azabicyclo[3.1.0]hexane;N-tert-butyl-N,1-dimethylazetidin-3-amine;N'-tert-butyl-N,N'-dimethylethane-1,2-diamine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;1-[tert-butyl(methyl)amino]-3-fluoropropan-2-ol;2-[tert-butyl(methyl)amino]-N-methylacetamide;1-[tert-butyl(methyl)amino]-2-methylpropan-2-ol;1-[tert-butyl(methyl)amino]propan-2-ol;(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;N-tert-butyl-N-methylazetidin-3-amine;N-tert-butyl-N-methyloxetan-3-amine;N-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;N-(cyclopropylmethyl)-N-methylpropan-2-amine;N,2-dimethyl-N-propylpropan-2-amine;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetamide;N-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;1-propan-2-ylazetidin-3-ol;1-propan-2-ylpiperidine?
The IUPAC name of 3-tert-butyl-3-azabicyclo[3.1.0]hexane;N-tert-butyl-N,1-dimethylazetidin-3-amine;N'-tert-butyl-N,N'-dimethylethane-1,2-diamine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;1-[tert-butyl(methyl)amino]-3-fluoropropan-2-ol;2-[tert-butyl(methyl)amino]-N-methylacetamide;1-[tert-butyl(methyl)amino]-2-methylpropan-2-ol;1-[tert-butyl(methyl)amino]propan-2-ol;(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;N-tert-butyl-N-methylazetidin-3-amine;N-tert-butyl-N-methyloxetan-3-amine;N-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;N-(cyclopropylmethyl)-N-methylpropan-2-amine;N,2-dimethyl-N-propylpropan-2-amine;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetamide;N-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;1-propan-2-ylazetidin-3-ol;1-propan-2-ylpiperidine (CID 158791915) is 3-tert-butyl-3-azabicyclo[3.1.0]hexane;N-tert-butyl-N,1-dimethylazetidin-3-amine;N'-tert-butyl-N,N'-dimethylethane-1,2-diamine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;1-[tert-butyl(methyl)amino]-3-fluoropropan-2-ol;2-[tert-butyl(methyl)amino]-N-methylacetamide;1-[tert-butyl(methyl)amino]-2-methylpropan-2-ol;1-[tert-butyl(methyl)amino]propan-2-ol;(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;N-tert-butyl-N-methylazetidin-3-amine;N-tert-butyl-N-methyloxetan-3-amine;N-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;N-(cyclopropylmethyl)-N-methylpropan-2-amine;N,2-dimethyl-N-propylpropan-2-amine;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetamide;N-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;1-propan-2-ylazetidin-3-ol;1-propan-2-ylpiperidine.
What is the SMILES notation for 3-tert-butyl-3-azabicyclo[3.1.0]hexane;N-tert-butyl-N,1-dimethylazetidin-3-amine;N'-tert-butyl-N,N'-dimethylethane-1,2-diamine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;1-[tert-butyl(methyl)amino]-3-fluoropropan-2-ol;2-[tert-butyl(methyl)amino]-N-methylacetamide;1-[tert-butyl(methyl)amino]-2-methylpropan-2-ol;1-[tert-butyl(methyl)amino]propan-2-ol;(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;N-tert-butyl-N-methylazetidin-3-amine;N-tert-butyl-N-methyloxetan-3-amine;N-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;N-(cyclopropylmethyl)-N-methylpropan-2-amine;N,2-dimethyl-N-propylpropan-2-amine;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetamide;N-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;1-propan-2-ylazetidin-3-ol;1-propan-2-ylpiperidine?
The canonical SMILES for 3-tert-butyl-3-azabicyclo[3.1.0]hexane;N-tert-butyl-N,1-dimethylazetidin-3-amine;N'-tert-butyl-N,N'-dimethylethane-1,2-diamine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;1-[tert-butyl(methyl)amino]-3-fluoropropan-2-ol;2-[tert-butyl(methyl)amino]-N-methylacetamide;1-[tert-butyl(methyl)amino]-2-methylpropan-2-ol;1-[tert-butyl(methyl)amino]propan-2-ol;(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;N-tert-butyl-N-methylazetidin-3-amine;N-tert-butyl-N-methyloxetan-3-amine;N-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;N-(cyclopropylmethyl)-N-methylpropan-2-amine;N,2-dimethyl-N-propylpropan-2-amine;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetamide;N-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;1-propan-2-ylazetidin-3-ol;1-propan-2-ylpiperidine is CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CCC(F)C1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCC(O)C1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[C@@H](O)C1.CC(C)(C)N1CC[C@H](O)C1.CC(C)N(C)C(C)C.CC(C)N(C)CC(N)=O.CC(C)N(C)CC1CC1.CC(C)N1CC(O)C1.CC(C)N1CCCCC1.CC(O)CN(C)C(C)(C)C.CC1CCCN1C(C)(C)C.CCCN(C)C(C)(C)C.CCCNC(C)(C)C.CN(C1CCNCC1)C(C)(C)C.CN(C1CNC1)C(C)(C)C.CN(C1COC1)C(C)(C)C.CN(CC(C)(C)O)C(C)(C)C.CN(CC(O)CF)C(C)(C)C.CN(C[C@@H](O)C(F)(F)F)C(C)(C)C.CN(C[C@H](O)C(F)(F)F)C(C)(C)C.CN1CC(N(C)C(C)(C)C)C1.CN1CCC(N(C)C(C)(C)C)CC1.CNC(=O)CN(C)C(C)(C)C.CNCCN(C)C(C)(C)C.COCCN(C)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-3-azabicyclo[3.1.0]hexane;N-tert-butyl-N,1-dimethylazetidin-3-amine;N'-tert-butyl-N,N'-dimethylethane-1,2-diamine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;1-[tert-butyl(methyl)amino]-3-fluoropropan-2-ol;2-[tert-butyl(methyl)amino]-N-methylacetamide;1-[tert-butyl(methyl)amino]-2-methylpropan-2-ol;1-[tert-butyl(methyl)amino]propan-2-ol;(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;N-tert-butyl-N-methylazetidin-3-amine;N-tert-butyl-N-methyloxetan-3-amine;N-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;N-(cyclopropylmethyl)-N-methylpropan-2-amine;N,2-dimethyl-N-propylpropan-2-amine;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetamide;N-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;1-propan-2-ylazetidin-3-ol;1-propan-2-ylpiperidine?
The InChIKey is ISJQHCAZWFYZRY-HGPKHKACSA-N. The full InChI is InChI=1S/C11H24N2.C10H22N2.C9H18FN.C9H20N2.C9H21NO.C9H17N.C9H19N.2C8H16F3NO.C8H18FNO.C8H16FN.C8H18N2O.C8H18N2.C8H20N2.5C8H17NO.2C8H19NO.2C8H17N.C8H19N.2C7H17N.C6H14N2O.C6H13NO/c1-11(2,3)13(5)10-6-8-12(4)9-7-10;1-10(2,3)12(4)9-5-7-11-8-6-9;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)11(5)8-6-10(4)7-8;1-8(2,3)10(6)7-9(4,5)11;1-9(2,3)10-5-7-4-8(7)6-10;1-8-6-5-7-10(8)9(2,3)4;2*1-7(2,3)12(4)5-6(13)8(9,10)11;1-8(2,3)10(4)6-7(11)5-9;1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)10(5)6-7(11)9-4;1-8(2,3)10(4)7-5-9-6-7;1-8(2,3)10(5)7-6-9-4;1-8(2,3)9(4)7-5-10-6-7;1-8(2,3)9-4-6-10-7-5-9;3*1-8(2,3)9-5-4-7(10)6-9;1-8(2,3)9(4)6-7-10-5;1-7(10)6-9(5)8(2,3)4;1-7(2)9(3)6-8-4-5-8;1-8(2)9-6-4-3-5-7-9;1-6-7-9(5)8(2,3)4;1-6(2)8(5)7(3)4;1-5-6-8-7(2,3)4;1-5(2)8(3)4-6(7)9;1-5(2)7-3-6(8)4-7/h10H,6-9H2,1-5H3;9,11H,5-8H2,1-4H3;8H,4-7H2,1-3H3;8H,6-7H2,1-5H3;11H,7H2,1-6H3;7-8H,4-6H2,1-3H3;8H,5-7H2,1-4H3;2*6,13H,5H2,1-4H3;7,11H,5-6H2,1-4H3;7H,4-6H2,1-3H3;6H2,1-5H3,(H,9,11);7,9H,5-6H2,1-4H3;9H,6-7H2,1-5H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;3*7,10H,4-6H2,1-3H3;6-7H2,1-5H3;7,10H,6H2,1-5H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;6-7H2,1-5H3;6-7H,1-5H3;8H,5-6H2,1-4H3;5H,4H2,1-3H3,(H2,7,9);5-6,8H,3-4H2,1-2H3/t;;;;;;;2*6-;;;;;;;;2*7-;;;;;;;;;;/m.......10.......10........../s1.
What are the key properties of 3-tert-butyl-3-azabicyclo[3.1.0]hexane;N-tert-butyl-N,1-dimethylazetidin-3-amine;N'-tert-butyl-N,N'-dimethylethane-1,2-diamine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;1-[tert-butyl(methyl)amino]-3-fluoropropan-2-ol;2-[tert-butyl(methyl)amino]-N-methylacetamide;1-[tert-butyl(methyl)amino]-2-methylpropan-2-ol;1-[tert-butyl(methyl)amino]propan-2-ol;(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;N-tert-butyl-N-methylazetidin-3-amine;N-tert-butyl-N-methyloxetan-3-amine;N-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;N-(cyclopropylmethyl)-N-methylpropan-2-amine;N,2-dimethyl-N-propylpropan-2-amine;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetamide;N-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;1-propan-2-ylazetidin-3-ol;1-propan-2-ylpiperidine?
3-tert-butyl-3-azabicyclo[3.1.0]hexane;N-tert-butyl-N,1-dimethylazetidin-3-amine;N'-tert-butyl-N,N'-dimethylethane-1,2-diamine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;1-[tert-butyl(methyl)amino]-3-fluoropropan-2-ol;2-[tert-butyl(methyl)amino]-N-methylacetamide;1-[tert-butyl(methyl)amino]-2-methylpropan-2-ol;1-[tert-butyl(methyl)amino]propan-2-ol;(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;N-tert-butyl-N-methylazetidin-3-amine;N-tert-butyl-N-methyloxetan-3-amine;N-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;N-(cyclopropylmethyl)-N-methylpropan-2-amine;N,2-dimethyl-N-propylpropan-2-amine;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetamide;N-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;1-propan-2-ylazetidin-3-ol;1-propan-2-ylpiperidine has a molecular weight of 4127.72 g/mol, XLogP of 36.66, 38 rotatable bonds, 15 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-azabicyclo[3.1.0]hexane;N-tert-butyl-N,1-dimethylazetidin-3-amine;N'-tert-butyl-N,N'-dimethylethane-1,2-diamine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;1-[tert-butyl(methyl)amino]-3-fluoropropan-2-ol;2-[tert-butyl(methyl)amino]-N-methylacetamide;1-[tert-butyl(methyl)amino]-2-methylpropan-2-ol;1-[tert-butyl(methyl)amino]propan-2-ol;(2R)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;(2S)-3-[tert-butyl(methyl)amino]-1,1,1-trifluoropropan-2-ol;N-tert-butyl-N-methylazetidin-3-amine;N-tert-butyl-N-methyloxetan-3-amine;N-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-1-tert-butylpyrrolidin-3-ol;N-(cyclopropylmethyl)-N-methylpropan-2-amine;N,2-dimethyl-N-propylpropan-2-amine;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine;2-[methyl(propan-2-yl)amino]acetamide;N-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;1-propan-2-ylazetidin-3-ol;1-propan-2-ylpiperidine is sourced from PubChem (CID 158791915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).