1-tert-butylazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butyl-3-methylpyrrolidine);(3S)-1-tert-butyl-3-methylpyrrolidine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-ethylpiperazin-2-one;3-fluoro-3-methylpiperidine;2-methylidenepiperazine;1-methyl-2-methylidenepiperazine;3-methylpiperidine;pentakis(2-methylpropane);3-methyl-1-propan-2-ylpiperidine

C182H387F4N23O — CID 158169365

IUPAC1-tert-butylazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butyl-3-methylpyrrolidine);(3S)-1-tert-butyl-3-methylpyrrolidine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-ethylpiperazin-2-one;3-fluoro-3-methylpiperidine;2-methylidenepiperazine;1-methyl-2-methylidenepiperazine;3-methylpiperidine;pentakis(2-methylpropane);3-methyl-1-propan-2-ylpiperidine
SMILESC=C1CNCCN1.C=C1CNCCN1C.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC1(F)CCCNC1.CC1(F)CCN(C(C)(C)C)C1.CC1(F)CCN(C(C)(C)C)CC1.CC1(F)CN(C(C)(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCCNC1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CCN1CCNCC1=O.C[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C10H20FN.2C10H21N.C9H18FN.7C9H19N.C8H16FN.2C8H17N.C7H15N.C6H12FN.C6H12N2O.C6H12N2.C6H13N.C5H10N2.5C4H10/c1-9(2,3)12-7-5-10(4,11)6-8-12;2*1-9-5-7-11(8-6-9)10(2,3)4;1-8(2,3)11-6-5-9(4,10)7-11;3*1-8-5-6-10(7-8)9(2,3)4;1-8(2)10-6-4-5-9(3)7-10;3*1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)10-5-8(4,9)6-10;1-7-5-9(6-7)8(2,3)4;1-8(2,3)9-6-4-5-7-9;1-7(2,3)8-5-4-6-8;1-6(7)3-2-4-8-5-6;1-2-8-4-3-7-5-6(8)9;1-6-5-7-3-4-8(6)2;1-6-3-2-4-7-5-6;1-5-4-6-2-3-7-5;5*1-4(2)3/h5-8H2,1-4H3;2*9H,5-8H2,1-4H3;5-7H2,1-4H3;3*8H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;3*4-8H2,1-3H3;5-6H2,1-4H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-6H2,1-3H3;8H,2-5H2,1H3;7H,2-5H2,1H3;7H,1,3-5H2,2H3;6-7H,2-5H2,1H3;6-7H,1-4H2;5*4H,1-3H3/t;;;;8-;;;;;;;;;;;;;;;;;;;;/m....0..................../s1
InChIKeyFXGKGIQQQXTJAC-ZYWWIMKASA-N
MW2990.25 g/mol
LogP41.70
Rot. Bonds2

About 1-tert-butylazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butyl-3-methylpyrrolidine);(3S)-1-tert-butyl-3-methylpyrrolidine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-ethylpiperazin-2-one;3-fluoro-3-methylpiperidine;2-methylidenepiperazine;1-methyl-2-methylidenepiperazine;3-methylpiperidine;pentakis(2-methylpropane);3-methyl-1-propan-2-ylpiperidine

1-tert-butylazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butyl-3-methylpyrrolidine);(3S)-1-tert-butyl-3-methylpyrrolidine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-ethylpiperazin-2-one;3-fluoro-3-methylpiperidine;2-methylidenepiperazine;1-methyl-2-methylidenepiperazine;3-methylpiperidine;pentakis(2-methylpropane);3-methyl-1-propan-2-ylpiperidine (PubChem CID 158169365) has the molecular formula C182H387F4N23O and a molecular weight of 2990.25 g/mol. Its IUPAC name is 1-tert-butylazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butyl-3-methylpyrrolidine);(3S)-1-tert-butyl-3-methylpyrrolidine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-ethylpiperazin-2-one;3-fluoro-3-methylpiperidine;2-methylidenepiperazine;1-methyl-2-methylidenepiperazine;3-methylpiperidine;pentakis(2-methylpropane);3-methyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-tert-butylazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butyl-3-methylpyrrolidine);(3S)-1-tert-butyl-3-methylpyrrolidine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-ethylpiperazin-2-one;3-fluoro-3-methylpiperidine;2-methylidenepiperazine;1-methyl-2-methylidenepiperazine;3-methylpiperidine;pentakis(2-methylpropane);3-methyl-1-propan-2-ylpiperidine
PubChem CID158169365
Molecular FormulaC182H387F4N23O
Molecular Weight2990.25 g/mol
Exact Mass2988.09
IUPAC Name1-tert-butylazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butyl-3-methylpyrrolidine);(3S)-1-tert-butyl-3-methylpyrrolidine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-ethylpiperazin-2-one;3-fluoro-3-methylpiperidine;2-methylidenepiperazine;1-methyl-2-methylidenepiperazine;3-methylpiperidine;pentakis(2-methylpropane);3-methyl-1-propan-2-ylpiperidine
SMILESC=C1CNCCN1.C=C1CNCCN1C.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC1(F)CCCNC1.CC1(F)CCN(C(C)(C)C)C1.CC1(F)CCN(C(C)(C)C)CC1.CC1(F)CN(C(C)(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCCNC1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CCN1CCNCC1=O.C[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C10H20FN.2C10H21N.C9H18FN.7C9H19N.C8H16FN.2C8H17N.C7H15N.C6H12FN.C6H12N2O.C6H12N2.C6H13N.C5H10N2.5C4H10/c1-9(2,3)12-7-5-10(4,11)6-8-12;2*1-9-5-7-11(8-6-9)10(2,3)4;1-8(2,3)11-6-5-9(4,10)7-11;3*1-8-5-6-10(7-8)9(2,3)4;1-8(2)10-6-4-5-9(3)7-10;3*1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)10-5-8(4,9)6-10;1-7-5-9(6-7)8(2,3)4;1-8(2,3)9-6-4-5-7-9;1-7(2,3)8-5-4-6-8;1-6(7)3-2-4-8-5-6;1-2-8-4-3-7-5-6(8)9;1-6-5-7-3-4-8(6)2;1-6-3-2-4-7-5-6;1-5-4-6-2-3-7-5;5*1-4(2)3/h5-8H2,1-4H3;2*9H,5-8H2,1-4H3;5-7H2,1-4H3;3*8H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;3*4-8H2,1-3H3;5-6H2,1-4H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-6H2,1-3H3;8H,2-5H2,1H3;7H,2-5H2,1H3;7H,1,3-5H2,2H3;6-7H,2-5H2,1H3;6-7H,1-4H2;5*4H,1-3H3/t;;;;8-;;;;;;;;;;;;;;;;;;;;/m....0..................../s1
InChIKeyFXGKGIQQQXTJAC-ZYWWIMKASA-N
XLogP41.70
TPSA144.33 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds2
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002990.25
LogP ≤ 541.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 1-tert-butylazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butyl-3-methylpyrrolidine);(3S)-1-tert-butyl-3-methylpyrrolidine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-ethylpiperazin-2-one;3-fluoro-3-methylpiperidine;2-methylidenepiperazine;1-methyl-2-methylidenepiperazine;3-methylpiperidine;pentakis(2-methylpropane);3-methyl-1-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
CID 159358501
1-tert-butylazepane;1-tert-butyl-3,3-difluoroazepane;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4-fluoro-4-methylazepane;1-tert-butyl-4-fluoro-4-methylpiperidin-3-ol;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-4-(methoxymethyl)piperidine;1-tert-butyl-3,3,4,5,5-pentafluoro-4-methylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-3,3,5-trifluoro-5-methylpiperidine;1-tert-butyl-4-(1,1,1-trifluoropropan-2-yl)piperidine
CID 162016756
1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;pentakis(1-tert-butyl-3-methylazetidine);1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-3-methylpiperidine;bis(1-tert-butyl-3-methylpyrrolidine);bis(1-tert-butylpiperidine);1-tert-butylpiperidin-3-one;1-tert-butylpyrrolidine;(1-tert-butylpyrrolidin-2-yl)methanol
CID 158548257
1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine
CID 159843744
1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;bis(1-tert-butylpyrrolidin-2-one);4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine
CID 159153262
1-tert-butylazetidine;1-tert-butyl-3,3-dimethylazetidine;1-tert-butyl-2-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one
CID 159884464
1-tert-butylazetidine;1-tert-butylazetidin-3-ol;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoropiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-3-ol
CID 160834456
bis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-propan-2-ylpiperidine;1,4-ditert-butylpiperidine;ethane
CID 167673709
1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 158794229
1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);N-propan-2-ylcyclopentanamine;(2R)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidin-2-ol;(2R)-1-propan-2-ylpiperidin-2-ol
CID 163969020
(3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane
CID 158476670
1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;bis(1-tert-butylpyrrolidin-2-one);1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butylthiomorpholine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine
CID 158467919

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butyl-3-methylpyrrolidine);(3S)-1-tert-butyl-3-methylpyrrolidine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-ethylpiperazin-2-one;3-fluoro-3-methylpiperidine;2-methylidenepiperazine;1-methyl-2-methylidenepiperazine;3-methylpiperidine;pentakis(2-methylpropane);3-methyl-1-propan-2-ylpiperidine?
The IUPAC name of 1-tert-butylazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butyl-3-methylpyrrolidine);(3S)-1-tert-butyl-3-methylpyrrolidine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-ethylpiperazin-2-one;3-fluoro-3-methylpiperidine;2-methylidenepiperazine;1-methyl-2-methylidenepiperazine;3-methylpiperidine;pentakis(2-methylpropane);3-methyl-1-propan-2-ylpiperidine (CID 158169365) is 1-tert-butylazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butyl-3-methylpyrrolidine);(3S)-1-tert-butyl-3-methylpyrrolidine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-ethylpiperazin-2-one;3-fluoro-3-methylpiperidine;2-methylidenepiperazine;1-methyl-2-methylidenepiperazine;3-methylpiperidine;pentakis(2-methylpropane);3-methyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 1-tert-butylazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butyl-3-methylpyrrolidine);(3S)-1-tert-butyl-3-methylpyrrolidine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-ethylpiperazin-2-one;3-fluoro-3-methylpiperidine;2-methylidenepiperazine;1-methyl-2-methylidenepiperazine;3-methylpiperidine;pentakis(2-methylpropane);3-methyl-1-propan-2-ylpiperidine?
The canonical SMILES for 1-tert-butylazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butyl-3-methylpyrrolidine);(3S)-1-tert-butyl-3-methylpyrrolidine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-ethylpiperazin-2-one;3-fluoro-3-methylpiperidine;2-methylidenepiperazine;1-methyl-2-methylidenepiperazine;3-methylpiperidine;pentakis(2-methylpropane);3-methyl-1-propan-2-ylpiperidine is C=C1CNCCN1.C=C1CNCCN1C.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC1(F)CCCNC1.CC1(F)CCN(C(C)(C)C)C1.CC1(F)CCN(C(C)(C)C)CC1.CC1(F)CN(C(C)(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCCNC1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CCN1CCNCC1=O.C[C@H]1CCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butylazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butyl-3-methylpyrrolidine);(3S)-1-tert-butyl-3-methylpyrrolidine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-ethylpiperazin-2-one;3-fluoro-3-methylpiperidine;2-methylidenepiperazine;1-methyl-2-methylidenepiperazine;3-methylpiperidine;pentakis(2-methylpropane);3-methyl-1-propan-2-ylpiperidine?
The InChIKey is FXGKGIQQQXTJAC-ZYWWIMKASA-N. The full InChI is InChI=1S/C10H20FN.2C10H21N.C9H18FN.7C9H19N.C8H16FN.2C8H17N.C7H15N.C6H12FN.C6H12N2O.C6H12N2.C6H13N.C5H10N2.5C4H10/c1-9(2,3)12-7-5-10(4,11)6-8-12;2*1-9-5-7-11(8-6-9)10(2,3)4;1-8(2,3)11-6-5-9(4,10)7-11;3*1-8-5-6-10(7-8)9(2,3)4;1-8(2)10-6-4-5-9(3)7-10;3*1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)10-5-8(4,9)6-10;1-7-5-9(6-7)8(2,3)4;1-8(2,3)9-6-4-5-7-9;1-7(2,3)8-5-4-6-8;1-6(7)3-2-4-8-5-6;1-2-8-4-3-7-5-6(8)9;1-6-5-7-3-4-8(6)2;1-6-3-2-4-7-5-6;1-5-4-6-2-3-7-5;5*1-4(2)3/h5-8H2,1-4H3;2*9H,5-8H2,1-4H3;5-7H2,1-4H3;3*8H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;3*4-8H2,1-3H3;5-6H2,1-4H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-6H2,1-3H3;8H,2-5H2,1H3;7H,2-5H2,1H3;7H,1,3-5H2,2H3;6-7H,2-5H2,1H3;6-7H,1-4H2;5*4H,1-3H3/t;;;;8-;;;;;;;;;;;;;;;;;;;;/m....0..................../s1.
What are the key properties of 1-tert-butylazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butyl-3-methylpyrrolidine);(3S)-1-tert-butyl-3-methylpyrrolidine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-ethylpiperazin-2-one;3-fluoro-3-methylpiperidine;2-methylidenepiperazine;1-methyl-2-methylidenepiperazine;3-methylpiperidine;pentakis(2-methylpropane);3-methyl-1-propan-2-ylpiperidine?
1-tert-butylazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butyl-3-methylpyrrolidine);(3S)-1-tert-butyl-3-methylpyrrolidine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-ethylpiperazin-2-one;3-fluoro-3-methylpiperidine;2-methylidenepiperazine;1-methyl-2-methylidenepiperazine;3-methylpiperidine;pentakis(2-methylpropane);3-methyl-1-propan-2-ylpiperidine has a molecular weight of 2990.25 g/mol, XLogP of 41.70, 2 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;bis(1-tert-butyl-4-methylpiperidine);bis(1-tert-butyl-3-methylpyrrolidine);(3S)-1-tert-butyl-3-methylpyrrolidine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;1-ethylpiperazin-2-one;3-fluoro-3-methylpiperidine;2-methylidenepiperazine;1-methyl-2-methylidenepiperazine;3-methylpiperidine;pentakis(2-methylpropane);3-methyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 158169365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).