1-(azetidin-3-yl)-4-tert-butylpiperazine;2-(tert-butylamino)ethanol;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4,4-dimethylimidazolidin-2-one;1-tert-butyl-3,5-dimethylpiperazine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;(3S)-1-tert-butyl-3-ethylpyrrolidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidin-4-ol;(3R)-1-tert-butyl-N-methylpyrrolidin-3-amine;4-tert-butylmorpholine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperazine;4-tert-butylpiperazine-2,6-dione;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N-(2-methoxyethyl)-2-methylpropan-2-amine;2,3,3-trimethylbutan-2-amine

C213H457F4N41O10 — CID 165095660

IUPAC1-(azetidin-3-yl)-4-tert-butylpiperazine;2-(tert-butylamino)ethanol;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4,4-dimethylimidazolidin-2-one;1-tert-butyl-3,5-dimethylpiperazine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;(3S)-1-tert-butyl-3-ethylpyrrolidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidin-4-ol;(3R)-1-tert-butyl-N-methylpyrrolidin-3-amine;4-tert-butylmorpholine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperazine;4-tert-butylpiperazine-2,6-dione;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N-(2-methoxyethyl)-2-methylpropan-2-amine;2,3,3-trimethylbutan-2-amine
SMILESCC(C)(C)C(C)(C)N.CC(C)(C)N1CC(=O)NC(=O)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCN(C2CNC2)CC1.CC(C)(C)N1CCN(C2COC2)CC1.CC(C)(C)N1CCNC1=O.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[C@@H](N)C1.CC(C)(C)NCC(F)F.CC(C)(C)NCCO.CC(C)N1CCN(C(C)(C)C)CC1.CC1(C)CN(C(C)(C)C)C(=O)N1.CC1(O)CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)CC(C)N1.CCCN1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CC[C@H]1CCN(C(C)(C)C)C1.CN(C)[C@@H]1CCN(C(C)(C)C)C1.CN(C)[C@H]1CCN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)CC1.CN[C@@H]1CCN(C(C)(C)C)C1.COCCNC(C)(C)C
InChIInChI=1S/C11H23N3.C11H22N2O.2C11H24N2.4C10H22N2.C10H21NO.C10H21N.C9H17F2N.C9H18N2O.2C9H20N2.C8H14N2O2.C8H16N2O.2C8H18N2.C8H17NO.C7H14N2O.C7H17NO.C7H17N.C6H13F2N.C6H15NO/c1-11(2,3)14-6-4-13(5-7-14)10-8-12-9-10;1-11(2,3)13-6-4-12(5-7-13)10-8-14-9-10;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-8-6-12(10(3,4)5)7-9(2)11-8;2*1-10(2,3)12-7-6-9(8-12)11(4)5;1-5-11-6-8-12(9-7-11)10(2,3)4;1-9(2,3)11-7-5-10(4,12)6-8-11;1-5-9-6-7-11(8-9)10(2,3)4;1-8(2,3)12-6-4-9(10,11)5-7-12;1-8(2,3)11-6-9(4,5)10-7(11)12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)11-6-5-8(7-11)10-4;1-8(2,3)10-4-6(11)9-7(12)5-10;1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2,3)9-5-4-8-6(9)10;1-7(2,3)8-5-6-9-4;1-6(2,3)7(4,5)8;1-6(2,3)9-4-5(7)8;1-6(2,3)7-4-5-8/h10,12H,4-9H2,1-3H3;10H,4-9H2,1-3H3;10H,6-9H2,1-5H3;5-10H2,1-4H3;8-9,11H,6-7H2,1-5H3;2*9H,6-8H2,1-5H3;5-9H2,1-4H3;12H,5-8H2,1-4H3;9H,5-8H2,1-4H3;4-7H2,1-3H3;6H2,1-5H3,(H,10,12);5-8H2,1-4H3;8,10H,5-7H2,1-4H3;4-5H2,1-3H3,(H,9,11,12);5-6H2,1-4H3;9H,4-7H2,1-3H3;7H,4-6,9H2,1-3H3;4-7H2,1-3H3;4-5H2,1-3H3,(H,8,10);8H,5-6H2,1-4H3;8H2,1-5H3;5,9H,4H2,1-3H3;7-8H,4-5H2,1-3H3/t;;;;;2*9-;;;9-;;;;8-;;;;7-;;;;;;/m.....10..0...1...1....../s1
InChIKeyXLPNSIMLVRRQLA-OOTRKSDJSA-N
MW3829.27 g/mol
LogP30.02
Rot. Bonds17

About 1-(azetidin-3-yl)-4-tert-butylpiperazine;2-(tert-butylamino)ethanol;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4,4-dimethylimidazolidin-2-one;1-tert-butyl-3,5-dimethylpiperazine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;(3S)-1-tert-butyl-3-ethylpyrrolidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidin-4-ol;(3R)-1-tert-butyl-N-methylpyrrolidin-3-amine;4-tert-butylmorpholine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperazine;4-tert-butylpiperazine-2,6-dione;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N-(2-methoxyethyl)-2-methylpropan-2-amine;2,3,3-trimethylbutan-2-amine

1-(azetidin-3-yl)-4-tert-butylpiperazine;2-(tert-butylamino)ethanol;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4,4-dimethylimidazolidin-2-one;1-tert-butyl-3,5-dimethylpiperazine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;(3S)-1-tert-butyl-3-ethylpyrrolidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidin-4-ol;(3R)-1-tert-butyl-N-methylpyrrolidin-3-amine;4-tert-butylmorpholine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperazine;4-tert-butylpiperazine-2,6-dione;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N-(2-methoxyethyl)-2-methylpropan-2-amine;2,3,3-trimethylbutan-2-amine (PubChem CID 165095660) has the molecular formula C213H457F4N41O10 and a molecular weight of 3829.27 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-tert-butylpiperazine;2-(tert-butylamino)ethanol;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4,4-dimethylimidazolidin-2-one;1-tert-butyl-3,5-dimethylpiperazine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;(3S)-1-tert-butyl-3-ethylpyrrolidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidin-4-ol;(3R)-1-tert-butyl-N-methylpyrrolidin-3-amine;4-tert-butylmorpholine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperazine;4-tert-butylpiperazine-2,6-dione;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N-(2-methoxyethyl)-2-methylpropan-2-amine;2,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-tert-butylpiperazine;2-(tert-butylamino)ethanol;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4,4-dimethylimidazolidin-2-one;1-tert-butyl-3,5-dimethylpiperazine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;(3S)-1-tert-butyl-3-ethylpyrrolidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidin-4-ol;(3R)-1-tert-butyl-N-methylpyrrolidin-3-amine;4-tert-butylmorpholine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperazine;4-tert-butylpiperazine-2,6-dione;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N-(2-methoxyethyl)-2-methylpropan-2-amine;2,3,3-trimethylbutan-2-amine
PubChem CID165095660
Molecular FormulaC213H457F4N41O10
Molecular Weight3829.27 g/mol
Exact Mass3826.64
IUPAC Name1-(azetidin-3-yl)-4-tert-butylpiperazine;2-(tert-butylamino)ethanol;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4,4-dimethylimidazolidin-2-one;1-tert-butyl-3,5-dimethylpiperazine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;(3S)-1-tert-butyl-3-ethylpyrrolidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidin-4-ol;(3R)-1-tert-butyl-N-methylpyrrolidin-3-amine;4-tert-butylmorpholine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperazine;4-tert-butylpiperazine-2,6-dione;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N-(2-methoxyethyl)-2-methylpropan-2-amine;2,3,3-trimethylbutan-2-amine
SMILESCC(C)(C)C(C)(C)N.CC(C)(C)N1CC(=O)NC(=O)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCN(C2CNC2)CC1.CC(C)(C)N1CCN(C2COC2)CC1.CC(C)(C)N1CCNC1=O.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[C@@H](N)C1.CC(C)(C)NCC(F)F.CC(C)(C)NCCO.CC(C)N1CCN(C(C)(C)C)CC1.CC1(C)CN(C(C)(C)C)C(=O)N1.CC1(O)CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)CC(C)N1.CCCN1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CC[C@H]1CCN(C(C)(C)C)C1.CN(C)[C@@H]1CCN(C(C)(C)C)C1.CN(C)[C@H]1CCN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)CC1.CN[C@@H]1CCN(C(C)(C)C)C1.COCCNC(C)(C)C
InChIInChI=1S/C11H23N3.C11H22N2O.2C11H24N2.4C10H22N2.C10H21NO.C10H21N.C9H17F2N.C9H18N2O.2C9H20N2.C8H14N2O2.C8H16N2O.2C8H18N2.C8H17NO.C7H14N2O.C7H17NO.C7H17N.C6H13F2N.C6H15NO/c1-11(2,3)14-6-4-13(5-7-14)10-8-12-9-10;1-11(2,3)13-6-4-12(5-7-13)10-8-14-9-10;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-8-6-12(10(3,4)5)7-9(2)11-8;2*1-10(2,3)12-7-6-9(8-12)11(4)5;1-5-11-6-8-12(9-7-11)10(2,3)4;1-9(2,3)11-7-5-10(4,12)6-8-11;1-5-9-6-7-11(8-9)10(2,3)4;1-8(2,3)12-6-4-9(10,11)5-7-12;1-8(2,3)11-6-9(4,5)10-7(11)12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)11-6-5-8(7-11)10-4;1-8(2,3)10-4-6(11)9-7(12)5-10;1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2,3)9-5-4-8-6(9)10;1-7(2,3)8-5-6-9-4;1-6(2,3)7(4,5)8;1-6(2,3)9-4-5(7)8;1-6(2,3)7-4-5-8/h10,12H,4-9H2,1-3H3;10H,4-9H2,1-3H3;10H,6-9H2,1-5H3;5-10H2,1-4H3;8-9,11H,6-7H2,1-5H3;2*9H,6-8H2,1-5H3;5-9H2,1-4H3;12H,5-8H2,1-4H3;9H,5-8H2,1-4H3;4-7H2,1-3H3;6H2,1-5H3,(H,10,12);5-8H2,1-4H3;8,10H,5-7H2,1-4H3;4-5H2,1-3H3,(H,9,11,12);5-6H2,1-4H3;9H,4-7H2,1-3H3;7H,4-6,9H2,1-3H3;4-7H2,1-3H3;4-5H2,1-3H3,(H,8,10);8H,5-6H2,1-4H3;8H2,1-5H3;5,9H,4H2,1-3H3;7-8H,4-5H2,1-3H3/t;;;;;2*9-;;;9-;;;;8-;;;;7-;;;;;;/m.....10..0...1...1....../s1
InChIKeyXLPNSIMLVRRQLA-OOTRKSDJSA-N
XLogP30.02
TPSA419.80 Ų
H-Bond Donors14
H-Bond Acceptors44
Rotatable Bonds17
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003829.27
LogP ≤ 530.02
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1044

Analyze 1-(azetidin-3-yl)-4-tert-butylpiperazine;2-(tert-butylamino)ethanol;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4,4-dimethylimidazolidin-2-one;1-tert-butyl-3,5-dimethylpiperazine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;(3S)-1-tert-butyl-3-ethylpyrrolidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidin-4-ol;(3R)-1-tert-butyl-N-methylpyrrolidin-3-amine;4-tert-butylmorpholine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperazine;4-tert-butylpiperazine-2,6-dione;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N-(2-methoxyethyl)-2-methylpropan-2-amine;2,3,3-trimethylbutan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-tert-butylpiperazine;2-(tert-butylamino)ethanol;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4,4-dimethylimidazolidin-2-one;1-tert-butyl-3,5-dimethylpiperazine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;(3S)-1-tert-butyl-3-ethylpyrrolidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidin-4-ol;(3R)-1-tert-butyl-N-methylpyrrolidin-3-amine;4-tert-butylmorpholine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperazine;4-tert-butylpiperazine-2,6-dione;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N-(2-methoxyethyl)-2-methylpropan-2-amine;2,3,3-trimethylbutan-2-amine?
The IUPAC name of 1-(azetidin-3-yl)-4-tert-butylpiperazine;2-(tert-butylamino)ethanol;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4,4-dimethylimidazolidin-2-one;1-tert-butyl-3,5-dimethylpiperazine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;(3S)-1-tert-butyl-3-ethylpyrrolidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidin-4-ol;(3R)-1-tert-butyl-N-methylpyrrolidin-3-amine;4-tert-butylmorpholine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperazine;4-tert-butylpiperazine-2,6-dione;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N-(2-methoxyethyl)-2-methylpropan-2-amine;2,3,3-trimethylbutan-2-amine (CID 165095660) is 1-(azetidin-3-yl)-4-tert-butylpiperazine;2-(tert-butylamino)ethanol;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4,4-dimethylimidazolidin-2-one;1-tert-butyl-3,5-dimethylpiperazine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;(3S)-1-tert-butyl-3-ethylpyrrolidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidin-4-ol;(3R)-1-tert-butyl-N-methylpyrrolidin-3-amine;4-tert-butylmorpholine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperazine;4-tert-butylpiperazine-2,6-dione;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N-(2-methoxyethyl)-2-methylpropan-2-amine;2,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-tert-butylpiperazine;2-(tert-butylamino)ethanol;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4,4-dimethylimidazolidin-2-one;1-tert-butyl-3,5-dimethylpiperazine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;(3S)-1-tert-butyl-3-ethylpyrrolidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidin-4-ol;(3R)-1-tert-butyl-N-methylpyrrolidin-3-amine;4-tert-butylmorpholine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperazine;4-tert-butylpiperazine-2,6-dione;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N-(2-methoxyethyl)-2-methylpropan-2-amine;2,3,3-trimethylbutan-2-amine?
The canonical SMILES for 1-(azetidin-3-yl)-4-tert-butylpiperazine;2-(tert-butylamino)ethanol;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4,4-dimethylimidazolidin-2-one;1-tert-butyl-3,5-dimethylpiperazine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;(3S)-1-tert-butyl-3-ethylpyrrolidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidin-4-ol;(3R)-1-tert-butyl-N-methylpyrrolidin-3-amine;4-tert-butylmorpholine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperazine;4-tert-butylpiperazine-2,6-dione;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N-(2-methoxyethyl)-2-methylpropan-2-amine;2,3,3-trimethylbutan-2-amine is CC(C)(C)C(C)(C)N.CC(C)(C)N1CC(=O)NC(=O)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCN(C2CNC2)CC1.CC(C)(C)N1CCN(C2COC2)CC1.CC(C)(C)N1CCNC1=O.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[C@@H](N)C1.CC(C)(C)NCC(F)F.CC(C)(C)NCCO.CC(C)N1CCN(C(C)(C)C)CC1.CC1(C)CN(C(C)(C)C)C(=O)N1.CC1(O)CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)CC(C)N1.CCCN1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CC[C@H]1CCN(C(C)(C)C)C1.CN(C)[C@@H]1CCN(C(C)(C)C)C1.CN(C)[C@H]1CCN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)CC1.CN[C@@H]1CCN(C(C)(C)C)C1.COCCNC(C)(C)C.
What is the InChIKey of 1-(azetidin-3-yl)-4-tert-butylpiperazine;2-(tert-butylamino)ethanol;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4,4-dimethylimidazolidin-2-one;1-tert-butyl-3,5-dimethylpiperazine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;(3S)-1-tert-butyl-3-ethylpyrrolidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidin-4-ol;(3R)-1-tert-butyl-N-methylpyrrolidin-3-amine;4-tert-butylmorpholine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperazine;4-tert-butylpiperazine-2,6-dione;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N-(2-methoxyethyl)-2-methylpropan-2-amine;2,3,3-trimethylbutan-2-amine?
The InChIKey is XLPNSIMLVRRQLA-OOTRKSDJSA-N. The full InChI is InChI=1S/C11H23N3.C11H22N2O.2C11H24N2.4C10H22N2.C10H21NO.C10H21N.C9H17F2N.C9H18N2O.2C9H20N2.C8H14N2O2.C8H16N2O.2C8H18N2.C8H17NO.C7H14N2O.C7H17NO.C7H17N.C6H13F2N.C6H15NO/c1-11(2,3)14-6-4-13(5-7-14)10-8-12-9-10;1-11(2,3)13-6-4-12(5-7-13)10-8-14-9-10;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-8-6-12(10(3,4)5)7-9(2)11-8;2*1-10(2,3)12-7-6-9(8-12)11(4)5;1-5-11-6-8-12(9-7-11)10(2,3)4;1-9(2,3)11-7-5-10(4,12)6-8-11;1-5-9-6-7-11(8-9)10(2,3)4;1-8(2,3)12-6-4-9(10,11)5-7-12;1-8(2,3)11-6-9(4,5)10-7(11)12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)11-6-5-8(7-11)10-4;1-8(2,3)10-4-6(11)9-7(12)5-10;1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2,3)9-5-4-8-6(9)10;1-7(2,3)8-5-6-9-4;1-6(2,3)7(4,5)8;1-6(2,3)9-4-5(7)8;1-6(2,3)7-4-5-8/h10,12H,4-9H2,1-3H3;10H,4-9H2,1-3H3;10H,6-9H2,1-5H3;5-10H2,1-4H3;8-9,11H,6-7H2,1-5H3;2*9H,6-8H2,1-5H3;5-9H2,1-4H3;12H,5-8H2,1-4H3;9H,5-8H2,1-4H3;4-7H2,1-3H3;6H2,1-5H3,(H,10,12);5-8H2,1-4H3;8,10H,5-7H2,1-4H3;4-5H2,1-3H3,(H,9,11,12);5-6H2,1-4H3;9H,4-7H2,1-3H3;7H,4-6,9H2,1-3H3;4-7H2,1-3H3;4-5H2,1-3H3,(H,8,10);8H,5-6H2,1-4H3;8H2,1-5H3;5,9H,4H2,1-3H3;7-8H,4-5H2,1-3H3/t;;;;;2*9-;;;9-;;;;8-;;;;7-;;;;;;/m.....10..0...1...1....../s1.
What are the key properties of 1-(azetidin-3-yl)-4-tert-butylpiperazine;2-(tert-butylamino)ethanol;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4,4-dimethylimidazolidin-2-one;1-tert-butyl-3,5-dimethylpiperazine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;(3S)-1-tert-butyl-3-ethylpyrrolidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidin-4-ol;(3R)-1-tert-butyl-N-methylpyrrolidin-3-amine;4-tert-butylmorpholine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperazine;4-tert-butylpiperazine-2,6-dione;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N-(2-methoxyethyl)-2-methylpropan-2-amine;2,3,3-trimethylbutan-2-amine?
1-(azetidin-3-yl)-4-tert-butylpiperazine;2-(tert-butylamino)ethanol;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4,4-dimethylimidazolidin-2-one;1-tert-butyl-3,5-dimethylpiperazine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;(3S)-1-tert-butyl-3-ethylpyrrolidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidin-4-ol;(3R)-1-tert-butyl-N-methylpyrrolidin-3-amine;4-tert-butylmorpholine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperazine;4-tert-butylpiperazine-2,6-dione;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N-(2-methoxyethyl)-2-methylpropan-2-amine;2,3,3-trimethylbutan-2-amine has a molecular weight of 3829.27 g/mol, XLogP of 30.02, 17 rotatable bonds, 14 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-tert-butylpiperazine;2-(tert-butylamino)ethanol;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4,4-dimethylimidazolidin-2-one;1-tert-butyl-3,5-dimethylpiperazine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;(3S)-1-tert-butyl-3-ethylpyrrolidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidin-4-ol;(3R)-1-tert-butyl-N-methylpyrrolidin-3-amine;4-tert-butylmorpholine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperazine;4-tert-butylpiperazine-2,6-dione;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N-(2-methoxyethyl)-2-methylpropan-2-amine;2,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 165095660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).