tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;N-ethyl-2-methylpropanamide;N-ethyl-2,2,3-trimethylbutanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol

C187H391F4N23O13 — CID 160835832

IUPACtert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;N-ethyl-2-methylpropanamide;N-ethyl-2,2,3-trimethylbutanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)(C)C1CC1.CC(C)(C)N1CC(F)(F)C1.CC(C)C(=O)N1CCCC1.CC(C)C(C)(C)O.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCNCC1.CC(C)N1C(=O)CCC1(C)C.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CC(C)N1CCC[C@@H](N)C1.CC(C)N1CCC[C@@H](O)C1.CC(C)N1CCC[C@H](N)C1.CC(C)N1CCC[C@H](O)C1.CCNC(=O)C(C)(C)C(C)C.CCNC(=O)C(C)C.CNC1CCN(C(C)C)CC1.COC1CCN(C(C)C)C1.COC1CCN(C(C)C)CC1.COCCOC1CN(C(C)(C)C)C1
InChIInChI=1S/C10H21NO2.2C9H20N2.C9H17NO.3C9H19NO.C9H18.C8H15F2N.2C8H18N2.4C8H17NO.C8H15NO.2C8H17N.C8H16.C7H13F2N.C7H14.C6H13NO.C6H14O/c1-10(2,3)11-7-9(8-11)13-6-5-12-4;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)11-6-4-9(10-3)5-7-11;1-7(2)10-8(11)5-6-9(10,3)4;1-8(2)10-6-4-9(11-3)5-7-10;1-8(2)10-6-4-9(3,11)5-7-10;1-6-10-8(11)9(4,5)7(2)3;1-8(2)9-6-4-3-5-7-9;1-7(2)11-5-3-8(9,10)4-6-11;2*1-7(2)10-5-3-4-8(9)6-10;1-7(2)9-5-4-8(6-9)10-3;1-7(2)9-5-3-8(10)4-6-9;2*1-7(2)9-5-3-4-8(10)6-9;1-7(2)8(10)9-5-3-4-6-9;1-7(2)8-3-5-9-6-4-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)6-4-5-6;1-4-7-6(8)5(2)3;1-5(2)6(3,4)7/h9H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;7H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;8,11H,4-7H2,1-3H3;7H,6H2,1-5H3,(H,10,11);8-9H,3-7H2,1-2H3;7H,3-6H2,1-2H3;2*7-8H,3-6,9H2,1-2H3;7-8H,4-6H2,1-3H3;3*7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;4-5H2,1-3H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3,(H,7,8);5,7H,1-4H3/t;;;;;;;;;2*8-;;;2*8-;;;;;;;;/m.........10..10......../s1
InChIKeySHJZFKNKUOPBIM-VOKYEVSUSA-N
MW3246.32 g/mol
LogP34.23
Rot. Bonds31

About tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;N-ethyl-2-methylpropanamide;N-ethyl-2,2,3-trimethylbutanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol

tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;N-ethyl-2-methylpropanamide;N-ethyl-2,2,3-trimethylbutanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol (PubChem CID 160835832) has the molecular formula C187H391F4N23O13 and a molecular weight of 3246.32 g/mol. Its IUPAC name is tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;N-ethyl-2-methylpropanamide;N-ethyl-2,2,3-trimethylbutanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol.

Molecular Properties

Compound Nametert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;N-ethyl-2-methylpropanamide;N-ethyl-2,2,3-trimethylbutanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol
PubChem CID160835832
Molecular FormulaC187H391F4N23O13
Molecular Weight3246.32 g/mol
Exact Mass3244.06
IUPAC Nametert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;N-ethyl-2-methylpropanamide;N-ethyl-2,2,3-trimethylbutanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)(C)C1CC1.CC(C)(C)N1CC(F)(F)C1.CC(C)C(=O)N1CCCC1.CC(C)C(C)(C)O.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCNCC1.CC(C)N1C(=O)CCC1(C)C.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CC(C)N1CCC[C@@H](N)C1.CC(C)N1CCC[C@@H](O)C1.CC(C)N1CCC[C@H](N)C1.CC(C)N1CCC[C@H](O)C1.CCNC(=O)C(C)(C)C(C)C.CCNC(=O)C(C)C.CNC1CCN(C(C)C)CC1.COC1CCN(C(C)C)C1.COC1CCN(C(C)C)CC1.COCCOC1CN(C(C)(C)C)C1
InChIInChI=1S/C10H21NO2.2C9H20N2.C9H17NO.3C9H19NO.C9H18.C8H15F2N.2C8H18N2.4C8H17NO.C8H15NO.2C8H17N.C8H16.C7H13F2N.C7H14.C6H13NO.C6H14O/c1-10(2,3)11-7-9(8-11)13-6-5-12-4;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)11-6-4-9(10-3)5-7-11;1-7(2)10-8(11)5-6-9(10,3)4;1-8(2)10-6-4-9(11-3)5-7-10;1-8(2)10-6-4-9(3,11)5-7-10;1-6-10-8(11)9(4,5)7(2)3;1-8(2)9-6-4-3-5-7-9;1-7(2)11-5-3-8(9,10)4-6-11;2*1-7(2)10-5-3-4-8(9)6-10;1-7(2)9-5-4-8(6-9)10-3;1-7(2)9-5-3-8(10)4-6-9;2*1-7(2)9-5-3-4-8(10)6-9;1-7(2)8(10)9-5-3-4-6-9;1-7(2)8-3-5-9-6-4-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)6-4-5-6;1-4-7-6(8)5(2)3;1-5(2)6(3,4)7/h9H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;7H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;8,11H,4-7H2,1-3H3;7H,6H2,1-5H3,(H,10,11);8-9H,3-7H2,1-2H3;7H,3-6H2,1-2H3;2*7-8H,3-6,9H2,1-2H3;7-8H,4-6H2,1-3H3;3*7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;4-5H2,1-3H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3,(H,7,8);5,7H,1-4H3/t;;;;;;;;;2*8-;;;2*8-;;;;;;;;/m.........10..10......../s1
InChIKeySHJZFKNKUOPBIM-VOKYEVSUSA-N
XLogP34.23
TPSA361.59 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003246.32
LogP ≤ 534.23
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;N-ethyl-2-methylpropanamide;N-ethyl-2,2,3-trimethylbutanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;N-ethyl-2-methylpropanamide;N-ethyl-2,2,3-trimethylbutanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol?
The IUPAC name of tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;N-ethyl-2-methylpropanamide;N-ethyl-2,2,3-trimethylbutanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol (CID 160835832) is tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;N-ethyl-2-methylpropanamide;N-ethyl-2,2,3-trimethylbutanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol.
What is the SMILES notation for tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;N-ethyl-2-methylpropanamide;N-ethyl-2,2,3-trimethylbutanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol?
The canonical SMILES for tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;N-ethyl-2-methylpropanamide;N-ethyl-2,2,3-trimethylbutanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol is CC(C)(C)C1CC1.CC(C)(C)N1CC(F)(F)C1.CC(C)C(=O)N1CCCC1.CC(C)C(C)(C)O.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCNCC1.CC(C)N1C(=O)CCC1(C)C.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CC(C)N1CCC[C@@H](N)C1.CC(C)N1CCC[C@@H](O)C1.CC(C)N1CCC[C@H](N)C1.CC(C)N1CCC[C@H](O)C1.CCNC(=O)C(C)(C)C(C)C.CCNC(=O)C(C)C.CNC1CCN(C(C)C)CC1.COC1CCN(C(C)C)C1.COC1CCN(C(C)C)CC1.COCCOC1CN(C(C)(C)C)C1.
What is the InChIKey of tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;N-ethyl-2-methylpropanamide;N-ethyl-2,2,3-trimethylbutanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol?
The InChIKey is SHJZFKNKUOPBIM-VOKYEVSUSA-N. The full InChI is InChI=1S/C10H21NO2.2C9H20N2.C9H17NO.3C9H19NO.C9H18.C8H15F2N.2C8H18N2.4C8H17NO.C8H15NO.2C8H17N.C8H16.C7H13F2N.C7H14.C6H13NO.C6H14O/c1-10(2,3)11-7-9(8-11)13-6-5-12-4;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)11-6-4-9(10-3)5-7-11;1-7(2)10-8(11)5-6-9(10,3)4;1-8(2)10-6-4-9(11-3)5-7-10;1-8(2)10-6-4-9(3,11)5-7-10;1-6-10-8(11)9(4,5)7(2)3;1-8(2)9-6-4-3-5-7-9;1-7(2)11-5-3-8(9,10)4-6-11;2*1-7(2)10-5-3-4-8(9)6-10;1-7(2)9-5-4-8(6-9)10-3;1-7(2)9-5-3-8(10)4-6-9;2*1-7(2)9-5-3-4-8(10)6-9;1-7(2)8(10)9-5-3-4-6-9;1-7(2)8-3-5-9-6-4-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)6-4-5-6;1-4-7-6(8)5(2)3;1-5(2)6(3,4)7/h9H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;7H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;8,11H,4-7H2,1-3H3;7H,6H2,1-5H3,(H,10,11);8-9H,3-7H2,1-2H3;7H,3-6H2,1-2H3;2*7-8H,3-6,9H2,1-2H3;7-8H,4-6H2,1-3H3;3*7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;4-5H2,1-3H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3,(H,7,8);5,7H,1-4H3/t;;;;;;;;;2*8-;;;2*8-;;;;;;;;/m.........10..10......../s1.
What are the key properties of tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;N-ethyl-2-methylpropanamide;N-ethyl-2,2,3-trimethylbutanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol?
tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;N-ethyl-2-methylpropanamide;N-ethyl-2,2,3-trimethylbutanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol has a molecular weight of 3246.32 g/mol, XLogP of 34.23, 31 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclopropane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3-(2-methoxyethoxy)azetidine;4,4-difluoro-1-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;5,5-dimethyl-1-propan-2-ylpyrrolidin-2-one;N-ethyl-2-methylpropanamide;N-ethyl-2,2,3-trimethylbutanamide;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-methyl-1-pyrrolidin-1-ylpropan-1-one;propan-2-ylcyclohexane;propan-2-ylcyclopentane;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;(3S)-1-propan-2-ylpiperidin-3-ol;(3R)-1-propan-2-ylpiperidin-3-ol is sourced from PubChem (CID 160835832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).