1-tert-butylazetidin-3-amine;1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butylbicyclo[2.2.2]octane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;1-tert-butyl-3,3-difluoroazetidine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,2-dimethylpiperazine;1-tert-butyl-3-fluoroazetidine;1-tert-butylimidazolidine-2,4-dione;1-tert-butyl-3-isocyanoazetidine;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methylazetidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;1-tert-butyl-2-methylpiperazine;1-tert-butyl-3-methylpiperazine;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,3-oxazolidin-2-one;3-propan-2-yl-3-azabicyclo[3.1.0]hexane

C209H423F5N32O11 — CID 158205376

IUPAC1-tert-butylazetidin-3-amine;1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butylbicyclo[2.2.2]octane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;1-tert-butyl-3,3-difluoroazetidine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,2-dimethylpiperazine;1-tert-butyl-3-fluoroazetidine;1-tert-butylimidazolidine-2,4-dione;1-tert-butyl-3-isocyanoazetidine;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methylazetidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;1-tert-butyl-2-methylpiperazine;1-tert-butyl-3-methylpiperazine;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,3-oxazolidin-2-one;3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)(C)C12CCC(CC1)CC2.CC(C)(C)C1CCC(F)(F)CC1.CC(C)(C)C1CCC(O)CC1.CC(C)(C)C1CCCC1.CC(C)(C)N1CC(=O)NC1=O.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC(F)C1.CC(C)(C)N1CC(N)C1.CC(C)(C)N1CC(O)C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCOC1=O.CC(C)(C)c1nnco1.CC(C)N1CC2CC2C1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CCN1.CC1CN(C(C)(C)C)CCN1C.CC1CN(C(C)(C)C)CCO1.CC1CN(C)CCN1C(C)(C)C.CC1CNCCN1C(C)(C)C.CC1COCCN1C(C)(C)C.CN(C)C1CN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)CC1.COC1CN(C(C)(C)C)C1.Cc1nnc(C(C)(C)C)o1.[C-]#[N+]C1CN(C(C)(C)C)C1
InChIInChI=1S/C12H22.C10H18F2.2C10H22N2.C10H20O.4C9H20N2.2C9H19NO.C9H18.C8H14N2.C8H17NO.C8H15N.C8H17N.C7H13F2N.C7H14FN.C7H12N2O2.C7H12N2O.C7H16N2.C7H13NO2.C7H15NO.C7H15N.C6H10N2O/c1-11(2,3)12-7-4-10(5-8-12)6-9-12;1-9(2,3)8-4-6-10(11,12)7-5-8;1-9-8-12(10(2,3)4)7-6-11(9)5;1-9-8-11(5)6-7-12(9)10(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-9(2,3)11-6-8(7-11)10(4)5;1-9(2,3)11-7-5-10(4)6-8-11;1-8-7-11(6-5-10-8)9(2,3)4;1-8-7-10-5-6-11(8)9(2,3)4;1-8-7-11-6-5-10(8)9(2,3)4;1-8-7-10(5-6-11-8)9(2,3)4;1-9(2,3)8-6-4-5-7-8;1-8(2,3)10-5-7(6-10)9-4;1-8(2,3)9-5-7(6-9)10-4;1-6(2)9-4-7-3-8(7)5-9;1-7-5-9(6-7)8(2,3)4;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)9-4-6(8)5-9;1-7(2,3)9-4-5(10)8-6(9)11;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)9-4-6(8)5-9;1-7(2,3)8-4-5-10-6(8)9;1-7(2,3)8-4-6(9)5-8;1-7(2,3)8-5-4-6-8;1-6(2,3)5-8-7-4-9-5/h10H,4-9H2,1-3H3;8H,4-7H2,1-3H3;2*9H,6-8H2,1-5H3;8-9,11H,4-7H2,1-3H3;8H,6-7H2,1-5H3;5-8H2,1-4H3;2*8,10H,5-7H2,1-4H3;2*8H,5-7H2,1-4H3;8H,4-7H2,1-3H3;7H,5-6H2,1-3H3;7H,5-6H2,1-4H3;6-8H,3-5H2,1-2H3;7H,5-6H2,1-4H3;4-5H2,1-3H3;6H,4-5H2,1-3H3;4H2,1-3H3,(H,8,10,11);1-4H3;6H,4-5,8H2,1-3H3;4-5H2,1-3H3;6,9H,4-5H2,1-3H3;4-6H2,1-3H3;4H,1-3H3
InChIKeyGBKXMZZJWVIAGH-UHFFFAOYSA-N
MW3655.89 g/mol
LogP39.50
Rot. Bonds3

About 1-tert-butylazetidin-3-amine;1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butylbicyclo[2.2.2]octane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;1-tert-butyl-3,3-difluoroazetidine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,2-dimethylpiperazine;1-tert-butyl-3-fluoroazetidine;1-tert-butylimidazolidine-2,4-dione;1-tert-butyl-3-isocyanoazetidine;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methylazetidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;1-tert-butyl-2-methylpiperazine;1-tert-butyl-3-methylpiperazine;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,3-oxazolidin-2-one;3-propan-2-yl-3-azabicyclo[3.1.0]hexane

1-tert-butylazetidin-3-amine;1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butylbicyclo[2.2.2]octane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;1-tert-butyl-3,3-difluoroazetidine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,2-dimethylpiperazine;1-tert-butyl-3-fluoroazetidine;1-tert-butylimidazolidine-2,4-dione;1-tert-butyl-3-isocyanoazetidine;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methylazetidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;1-tert-butyl-2-methylpiperazine;1-tert-butyl-3-methylpiperazine;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,3-oxazolidin-2-one;3-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 158205376) has the molecular formula C209H423F5N32O11 and a molecular weight of 3655.89 g/mol. Its IUPAC name is 1-tert-butylazetidin-3-amine;1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butylbicyclo[2.2.2]octane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;1-tert-butyl-3,3-difluoroazetidine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,2-dimethylpiperazine;1-tert-butyl-3-fluoroazetidine;1-tert-butylimidazolidine-2,4-dione;1-tert-butyl-3-isocyanoazetidine;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methylazetidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;1-tert-butyl-2-methylpiperazine;1-tert-butyl-3-methylpiperazine;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,3-oxazolidin-2-one;3-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-tert-butylazetidin-3-amine;1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butylbicyclo[2.2.2]octane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;1-tert-butyl-3,3-difluoroazetidine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,2-dimethylpiperazine;1-tert-butyl-3-fluoroazetidine;1-tert-butylimidazolidine-2,4-dione;1-tert-butyl-3-isocyanoazetidine;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methylazetidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;1-tert-butyl-2-methylpiperazine;1-tert-butyl-3-methylpiperazine;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,3-oxazolidin-2-one;3-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID158205376
Molecular FormulaC209H423F5N32O11
Molecular Weight3655.89 g/mol
Exact Mass3653.34
IUPAC Name1-tert-butylazetidin-3-amine;1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butylbicyclo[2.2.2]octane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;1-tert-butyl-3,3-difluoroazetidine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,2-dimethylpiperazine;1-tert-butyl-3-fluoroazetidine;1-tert-butylimidazolidine-2,4-dione;1-tert-butyl-3-isocyanoazetidine;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methylazetidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;1-tert-butyl-2-methylpiperazine;1-tert-butyl-3-methylpiperazine;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,3-oxazolidin-2-one;3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)(C)C12CCC(CC1)CC2.CC(C)(C)C1CCC(F)(F)CC1.CC(C)(C)C1CCC(O)CC1.CC(C)(C)C1CCCC1.CC(C)(C)N1CC(=O)NC1=O.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC(F)C1.CC(C)(C)N1CC(N)C1.CC(C)(C)N1CC(O)C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCOC1=O.CC(C)(C)c1nnco1.CC(C)N1CC2CC2C1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CCN1.CC1CN(C(C)(C)C)CCN1C.CC1CN(C(C)(C)C)CCO1.CC1CN(C)CCN1C(C)(C)C.CC1CNCCN1C(C)(C)C.CC1COCCN1C(C)(C)C.CN(C)C1CN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)CC1.COC1CN(C(C)(C)C)C1.Cc1nnc(C(C)(C)C)o1.[C-]#[N+]C1CN(C(C)(C)C)C1
InChIInChI=1S/C12H22.C10H18F2.2C10H22N2.C10H20O.4C9H20N2.2C9H19NO.C9H18.C8H14N2.C8H17NO.C8H15N.C8H17N.C7H13F2N.C7H14FN.C7H12N2O2.C7H12N2O.C7H16N2.C7H13NO2.C7H15NO.C7H15N.C6H10N2O/c1-11(2,3)12-7-4-10(5-8-12)6-9-12;1-9(2,3)8-4-6-10(11,12)7-5-8;1-9-8-12(10(2,3)4)7-6-11(9)5;1-9-8-11(5)6-7-12(9)10(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-9(2,3)11-6-8(7-11)10(4)5;1-9(2,3)11-7-5-10(4)6-8-11;1-8-7-11(6-5-10-8)9(2,3)4;1-8-7-10-5-6-11(8)9(2,3)4;1-8-7-11-6-5-10(8)9(2,3)4;1-8-7-10(5-6-11-8)9(2,3)4;1-9(2,3)8-6-4-5-7-8;1-8(2,3)10-5-7(6-10)9-4;1-8(2,3)9-5-7(6-9)10-4;1-6(2)9-4-7-3-8(7)5-9;1-7-5-9(6-7)8(2,3)4;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)9-4-6(8)5-9;1-7(2,3)9-4-5(10)8-6(9)11;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)9-4-6(8)5-9;1-7(2,3)8-4-5-10-6(8)9;1-7(2,3)8-4-6(9)5-8;1-7(2,3)8-5-4-6-8;1-6(2,3)5-8-7-4-9-5/h10H,4-9H2,1-3H3;8H,4-7H2,1-3H3;2*9H,6-8H2,1-5H3;8-9,11H,4-7H2,1-3H3;8H,6-7H2,1-5H3;5-8H2,1-4H3;2*8,10H,5-7H2,1-4H3;2*8H,5-7H2,1-4H3;8H,4-7H2,1-3H3;7H,5-6H2,1-3H3;7H,5-6H2,1-4H3;6-8H,3-5H2,1-2H3;7H,5-6H2,1-4H3;4-5H2,1-3H3;6H,4-5H2,1-3H3;4H2,1-3H3,(H,8,10,11);1-4H3;6H,4-5,8H2,1-3H3;4-5H2,1-3H3;6,9H,4-5H2,1-3H3;4-6H2,1-3H3;4H,1-3H3
InChIKeyGBKXMZZJWVIAGH-UHFFFAOYSA-N
XLogP39.50
TPSA347.42 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds3
Heavy Atoms257
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003655.89
LogP ≤ 539.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 1-tert-butylazetidin-3-amine;1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butylbicyclo[2.2.2]octane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;1-tert-butyl-3,3-difluoroazetidine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,2-dimethylpiperazine;1-tert-butyl-3-fluoroazetidine;1-tert-butylimidazolidine-2,4-dione;1-tert-butyl-3-isocyanoazetidine;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methylazetidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;1-tert-butyl-2-methylpiperazine;1-tert-butyl-3-methylpiperazine;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,3-oxazolidin-2-one;3-propan-2-yl-3-azabicyclo[3.1.0]hexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidin-3-amine;1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butylbicyclo[2.2.2]octane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;1-tert-butyl-3,3-difluoroazetidine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,2-dimethylpiperazine;1-tert-butyl-3-fluoroazetidine;1-tert-butylimidazolidine-2,4-dione;1-tert-butyl-3-isocyanoazetidine;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methylazetidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;1-tert-butyl-2-methylpiperazine;1-tert-butyl-3-methylpiperazine;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,3-oxazolidin-2-one;3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-tert-butylazetidin-3-amine;1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butylbicyclo[2.2.2]octane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;1-tert-butyl-3,3-difluoroazetidine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,2-dimethylpiperazine;1-tert-butyl-3-fluoroazetidine;1-tert-butylimidazolidine-2,4-dione;1-tert-butyl-3-isocyanoazetidine;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methylazetidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;1-tert-butyl-2-methylpiperazine;1-tert-butyl-3-methylpiperazine;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,3-oxazolidin-2-one;3-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 158205376) is 1-tert-butylazetidin-3-amine;1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butylbicyclo[2.2.2]octane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;1-tert-butyl-3,3-difluoroazetidine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,2-dimethylpiperazine;1-tert-butyl-3-fluoroazetidine;1-tert-butylimidazolidine-2,4-dione;1-tert-butyl-3-isocyanoazetidine;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methylazetidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;1-tert-butyl-2-methylpiperazine;1-tert-butyl-3-methylpiperazine;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,3-oxazolidin-2-one;3-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-tert-butylazetidin-3-amine;1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butylbicyclo[2.2.2]octane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;1-tert-butyl-3,3-difluoroazetidine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,2-dimethylpiperazine;1-tert-butyl-3-fluoroazetidine;1-tert-butylimidazolidine-2,4-dione;1-tert-butyl-3-isocyanoazetidine;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methylazetidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;1-tert-butyl-2-methylpiperazine;1-tert-butyl-3-methylpiperazine;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,3-oxazolidin-2-one;3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-tert-butylazetidin-3-amine;1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butylbicyclo[2.2.2]octane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;1-tert-butyl-3,3-difluoroazetidine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,2-dimethylpiperazine;1-tert-butyl-3-fluoroazetidine;1-tert-butylimidazolidine-2,4-dione;1-tert-butyl-3-isocyanoazetidine;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methylazetidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;1-tert-butyl-2-methylpiperazine;1-tert-butyl-3-methylpiperazine;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,3-oxazolidin-2-one;3-propan-2-yl-3-azabicyclo[3.1.0]hexane is CC(C)(C)C12CCC(CC1)CC2.CC(C)(C)C1CCC(F)(F)CC1.CC(C)(C)C1CCC(O)CC1.CC(C)(C)C1CCCC1.CC(C)(C)N1CC(=O)NC1=O.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC(F)C1.CC(C)(C)N1CC(N)C1.CC(C)(C)N1CC(O)C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCOC1=O.CC(C)(C)c1nnco1.CC(C)N1CC2CC2C1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CCN1.CC1CN(C(C)(C)C)CCN1C.CC1CN(C(C)(C)C)CCO1.CC1CN(C)CCN1C(C)(C)C.CC1CNCCN1C(C)(C)C.CC1COCCN1C(C)(C)C.CN(C)C1CN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)CC1.COC1CN(C(C)(C)C)C1.Cc1nnc(C(C)(C)C)o1.[C-]#[N+]C1CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butylazetidin-3-amine;1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butylbicyclo[2.2.2]octane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;1-tert-butyl-3,3-difluoroazetidine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,2-dimethylpiperazine;1-tert-butyl-3-fluoroazetidine;1-tert-butylimidazolidine-2,4-dione;1-tert-butyl-3-isocyanoazetidine;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methylazetidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;1-tert-butyl-2-methylpiperazine;1-tert-butyl-3-methylpiperazine;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,3-oxazolidin-2-one;3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is GBKXMZZJWVIAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22.C10H18F2.2C10H22N2.C10H20O.4C9H20N2.2C9H19NO.C9H18.C8H14N2.C8H17NO.C8H15N.C8H17N.C7H13F2N.C7H14FN.C7H12N2O2.C7H12N2O.C7H16N2.C7H13NO2.C7H15NO.C7H15N.C6H10N2O/c1-11(2,3)12-7-4-10(5-8-12)6-9-12;1-9(2,3)8-4-6-10(11,12)7-5-8;1-9-8-12(10(2,3)4)7-6-11(9)5;1-9-8-11(5)6-7-12(9)10(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-9(2,3)11-6-8(7-11)10(4)5;1-9(2,3)11-7-5-10(4)6-8-11;1-8-7-11(6-5-10-8)9(2,3)4;1-8-7-10-5-6-11(8)9(2,3)4;1-8-7-11-6-5-10(8)9(2,3)4;1-8-7-10(5-6-11-8)9(2,3)4;1-9(2,3)8-6-4-5-7-8;1-8(2,3)10-5-7(6-10)9-4;1-8(2,3)9-5-7(6-9)10-4;1-6(2)9-4-7-3-8(7)5-9;1-7-5-9(6-7)8(2,3)4;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)9-4-6(8)5-9;1-7(2,3)9-4-5(10)8-6(9)11;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)9-4-6(8)5-9;1-7(2,3)8-4-5-10-6(8)9;1-7(2,3)8-4-6(9)5-8;1-7(2,3)8-5-4-6-8;1-6(2,3)5-8-7-4-9-5/h10H,4-9H2,1-3H3;8H,4-7H2,1-3H3;2*9H,6-8H2,1-5H3;8-9,11H,4-7H2,1-3H3;8H,6-7H2,1-5H3;5-8H2,1-4H3;2*8,10H,5-7H2,1-4H3;2*8H,5-7H2,1-4H3;8H,4-7H2,1-3H3;7H,5-6H2,1-3H3;7H,5-6H2,1-4H3;6-8H,3-5H2,1-2H3;7H,5-6H2,1-4H3;4-5H2,1-3H3;6H,4-5H2,1-3H3;4H2,1-3H3,(H,8,10,11);1-4H3;6H,4-5,8H2,1-3H3;4-5H2,1-3H3;6,9H,4-5H2,1-3H3;4-6H2,1-3H3;4H,1-3H3.
What are the key properties of 1-tert-butylazetidin-3-amine;1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butylbicyclo[2.2.2]octane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;1-tert-butyl-3,3-difluoroazetidine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,2-dimethylpiperazine;1-tert-butyl-3-fluoroazetidine;1-tert-butylimidazolidine-2,4-dione;1-tert-butyl-3-isocyanoazetidine;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methylazetidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;1-tert-butyl-2-methylpiperazine;1-tert-butyl-3-methylpiperazine;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,3-oxazolidin-2-one;3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
1-tert-butylazetidin-3-amine;1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butylbicyclo[2.2.2]octane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;1-tert-butyl-3,3-difluoroazetidine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,2-dimethylpiperazine;1-tert-butyl-3-fluoroazetidine;1-tert-butylimidazolidine-2,4-dione;1-tert-butyl-3-isocyanoazetidine;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methylazetidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;1-tert-butyl-2-methylpiperazine;1-tert-butyl-3-methylpiperazine;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,3-oxazolidin-2-one;3-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 3655.89 g/mol, XLogP of 39.50, 3 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazetidin-3-amine;1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butylbicyclo[2.2.2]octane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;1-tert-butyl-3,3-difluoroazetidine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-N,N-dimethylazetidin-3-amine;1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,2-dimethylpiperazine;1-tert-butyl-3-fluoroazetidine;1-tert-butylimidazolidine-2,4-dione;1-tert-butyl-3-isocyanoazetidine;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methylazetidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;1-tert-butyl-2-methylpiperazine;1-tert-butyl-3-methylpiperazine;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,3-oxazolidin-2-one;3-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 158205376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).