tert-butyl 3-tert-butylimidazolidine-1-carboxylate;tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;N-[2-[tert-butyl(ethyl)amino]ethyl]acetamide;(3R)-1-tert-butyl-3-fluoropyrrolidine;N-(1-tert-butylpiperidin-4-yl)acetamide;1-tert-butylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol

C94H191F3N14O8 — CID 157089519

IUPACtert-butyl 3-tert-butylimidazolidine-1-carboxylate;tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;N-[2-[tert-butyl(ethyl)amino]ethyl]acetamide;(3R)-1-tert-butyl-3-fluoropyrrolidine;N-(1-tert-butylpiperidin-4-yl)acetamide;1-tert-butylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol
SMILESCC(=O)NC1CCN(C(C)(C)C)CC1.CC(C)(C)N1CC=CC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CC[C@@H](F)C1.CC(C)(C)N1CC[C@@H](O)C1.CC(C)(C)N1CC[C@H](O)C1.CC(C)(C)OC(=O)N1CCN(C(C)(C)C)C1.CC(C)(C)OC(=O)N1CCN(C(C)(C)C)CC1.CCN(CCNC(C)=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2.C12H24N2O2.C11H22N2O.C10H22N2O.C8H15F2N.C8H16FN.2C8H17NO.C8H17N.C8H15N/c1-12(2,3)15-9-7-14(8-10-15)11(16)17-13(4,5)6;1-11(2,3)14-8-7-13(9-14)10(15)16-12(4,5)6;1-9(14)12-10-5-7-13(8-6-10)11(2,3)4;1-6-12(10(3,4)5)8-7-11-9(2)13;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)10-5-4-7(9)6-10;2*1-8(2,3)9-5-4-7(10)6-9;2*1-8(2,3)9-6-4-5-7-9/h7-10H2,1-6H3;7-9H2,1-6H3;10H,5-8H2,1-4H3,(H,12,14);6-8H2,1-5H3,(H,11,13);4-6H2,1-3H3;7H,4-6H2,1-3H3;2*7,10H,4-6H2,1-3H3;4-7H2,1-3H3;4-5H,6-7H2,1-3H3/t;;;;;3*7-;;/m.....110../s1
InChIKeyAEMPMQCSFOVXPI-VFZXHILZSA-N
MW1702.65 g/mol
LogP16.46
Rot. Bonds5

About tert-butyl 3-tert-butylimidazolidine-1-carboxylate;tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;N-[2-[tert-butyl(ethyl)amino]ethyl]acetamide;(3R)-1-tert-butyl-3-fluoropyrrolidine;N-(1-tert-butylpiperidin-4-yl)acetamide;1-tert-butylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol

tert-butyl 3-tert-butylimidazolidine-1-carboxylate;tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;N-[2-[tert-butyl(ethyl)amino]ethyl]acetamide;(3R)-1-tert-butyl-3-fluoropyrrolidine;N-(1-tert-butylpiperidin-4-yl)acetamide;1-tert-butylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol (PubChem CID 157089519) has the molecular formula C94H191F3N14O8 and a molecular weight of 1702.65 g/mol. Its IUPAC name is tert-butyl 3-tert-butylimidazolidine-1-carboxylate;tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;N-[2-[tert-butyl(ethyl)amino]ethyl]acetamide;(3R)-1-tert-butyl-3-fluoropyrrolidine;N-(1-tert-butylpiperidin-4-yl)acetamide;1-tert-butylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol.

Molecular Properties

Compound Nametert-butyl 3-tert-butylimidazolidine-1-carboxylate;tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;N-[2-[tert-butyl(ethyl)amino]ethyl]acetamide;(3R)-1-tert-butyl-3-fluoropyrrolidine;N-(1-tert-butylpiperidin-4-yl)acetamide;1-tert-butylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol
PubChem CID157089519
Molecular FormulaC94H191F3N14O8
Molecular Weight1702.65 g/mol
Exact Mass1701.49
IUPAC Nametert-butyl 3-tert-butylimidazolidine-1-carboxylate;tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;N-[2-[tert-butyl(ethyl)amino]ethyl]acetamide;(3R)-1-tert-butyl-3-fluoropyrrolidine;N-(1-tert-butylpiperidin-4-yl)acetamide;1-tert-butylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol
SMILESCC(=O)NC1CCN(C(C)(C)C)CC1.CC(C)(C)N1CC=CC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CC[C@@H](F)C1.CC(C)(C)N1CC[C@@H](O)C1.CC(C)(C)N1CC[C@H](O)C1.CC(C)(C)OC(=O)N1CCN(C(C)(C)C)C1.CC(C)(C)OC(=O)N1CCN(C(C)(C)C)CC1.CCN(CCNC(C)=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2.C12H24N2O2.C11H22N2O.C10H22N2O.C8H15F2N.C8H16FN.2C8H17NO.C8H17N.C8H15N/c1-12(2,3)15-9-7-14(8-10-15)11(16)17-13(4,5)6;1-11(2,3)14-8-7-13(9-14)10(15)16-12(4,5)6;1-9(14)12-10-5-7-13(8-6-10)11(2,3)4;1-6-12(10(3,4)5)8-7-11-9(2)13;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)10-5-4-7(9)6-10;2*1-8(2,3)9-5-4-7(10)6-9;2*1-8(2,3)9-6-4-5-7-9/h7-10H2,1-6H3;7-9H2,1-6H3;10H,5-8H2,1-4H3,(H,12,14);6-8H2,1-5H3,(H,11,13);4-6H2,1-3H3;7H,4-6H2,1-3H3;2*7,10H,4-6H2,1-3H3;4-7H2,1-3H3;4-5H,6-7H2,1-3H3/t;;;;;3*7-;;/m.....110../s1
InChIKeyAEMPMQCSFOVXPI-VFZXHILZSA-N
XLogP16.46
TPSA190.14 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds5
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001702.65
LogP ≤ 516.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze tert-butyl 3-tert-butylimidazolidine-1-carboxylate;tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;N-[2-[tert-butyl(ethyl)amino]ethyl]acetamide;(3R)-1-tert-butyl-3-fluoropyrrolidine;N-(1-tert-butylpiperidin-4-yl)acetamide;1-tert-butylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-tert-butylimidazolidine-1-carboxylate
CID 147368889
tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43652168
tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 57496371
N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide
CID 58182173
tert-butyl 3-(2-acetamidoethylamino)azetidine-1-carboxylate
CID 63302878
tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane
CID 161367043
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
tert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate
CID 171084730
tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 53255659
tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
CID 59986888
tert-butyl N-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]carbamate
CID 172628112
tert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate
CID 155233863

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-tert-butylimidazolidine-1-carboxylate;tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;N-[2-[tert-butyl(ethyl)amino]ethyl]acetamide;(3R)-1-tert-butyl-3-fluoropyrrolidine;N-(1-tert-butylpiperidin-4-yl)acetamide;1-tert-butylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol?
The IUPAC name of tert-butyl 3-tert-butylimidazolidine-1-carboxylate;tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;N-[2-[tert-butyl(ethyl)amino]ethyl]acetamide;(3R)-1-tert-butyl-3-fluoropyrrolidine;N-(1-tert-butylpiperidin-4-yl)acetamide;1-tert-butylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol (CID 157089519) is tert-butyl 3-tert-butylimidazolidine-1-carboxylate;tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;N-[2-[tert-butyl(ethyl)amino]ethyl]acetamide;(3R)-1-tert-butyl-3-fluoropyrrolidine;N-(1-tert-butylpiperidin-4-yl)acetamide;1-tert-butylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol.
What is the SMILES notation for tert-butyl 3-tert-butylimidazolidine-1-carboxylate;tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;N-[2-[tert-butyl(ethyl)amino]ethyl]acetamide;(3R)-1-tert-butyl-3-fluoropyrrolidine;N-(1-tert-butylpiperidin-4-yl)acetamide;1-tert-butylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol?
The canonical SMILES for tert-butyl 3-tert-butylimidazolidine-1-carboxylate;tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;N-[2-[tert-butyl(ethyl)amino]ethyl]acetamide;(3R)-1-tert-butyl-3-fluoropyrrolidine;N-(1-tert-butylpiperidin-4-yl)acetamide;1-tert-butylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol is CC(=O)NC1CCN(C(C)(C)C)CC1.CC(C)(C)N1CC=CC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CC[C@@H](F)C1.CC(C)(C)N1CC[C@@H](O)C1.CC(C)(C)N1CC[C@H](O)C1.CC(C)(C)OC(=O)N1CCN(C(C)(C)C)C1.CC(C)(C)OC(=O)N1CCN(C(C)(C)C)CC1.CCN(CCNC(C)=O)C(C)(C)C.
What is the InChIKey of tert-butyl 3-tert-butylimidazolidine-1-carboxylate;tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;N-[2-[tert-butyl(ethyl)amino]ethyl]acetamide;(3R)-1-tert-butyl-3-fluoropyrrolidine;N-(1-tert-butylpiperidin-4-yl)acetamide;1-tert-butylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol?
The InChIKey is AEMPMQCSFOVXPI-VFZXHILZSA-N. The full InChI is InChI=1S/C13H26N2O2.C12H24N2O2.C11H22N2O.C10H22N2O.C8H15F2N.C8H16FN.2C8H17NO.C8H17N.C8H15N/c1-12(2,3)15-9-7-14(8-10-15)11(16)17-13(4,5)6;1-11(2,3)14-8-7-13(9-14)10(15)16-12(4,5)6;1-9(14)12-10-5-7-13(8-6-10)11(2,3)4;1-6-12(10(3,4)5)8-7-11-9(2)13;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)10-5-4-7(9)6-10;2*1-8(2,3)9-5-4-7(10)6-9;2*1-8(2,3)9-6-4-5-7-9/h7-10H2,1-6H3;7-9H2,1-6H3;10H,5-8H2,1-4H3,(H,12,14);6-8H2,1-5H3,(H,11,13);4-6H2,1-3H3;7H,4-6H2,1-3H3;2*7,10H,4-6H2,1-3H3;4-7H2,1-3H3;4-5H,6-7H2,1-3H3/t;;;;;3*7-;;/m.....110../s1.
What are the key properties of tert-butyl 3-tert-butylimidazolidine-1-carboxylate;tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;N-[2-[tert-butyl(ethyl)amino]ethyl]acetamide;(3R)-1-tert-butyl-3-fluoropyrrolidine;N-(1-tert-butylpiperidin-4-yl)acetamide;1-tert-butylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol?
tert-butyl 3-tert-butylimidazolidine-1-carboxylate;tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;N-[2-[tert-butyl(ethyl)amino]ethyl]acetamide;(3R)-1-tert-butyl-3-fluoropyrrolidine;N-(1-tert-butylpiperidin-4-yl)acetamide;1-tert-butylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol has a molecular weight of 1702.65 g/mol, XLogP of 16.46, 5 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-tert-butylimidazolidine-1-carboxylate;tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-2,5-dihydropyrrole;N-[2-[tert-butyl(ethyl)amino]ethyl]acetamide;(3R)-1-tert-butyl-3-fluoropyrrolidine;N-(1-tert-butylpiperidin-4-yl)acetamide;1-tert-butylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-ol;(3R)-1-tert-butylpyrrolidin-3-ol is sourced from PubChem (CID 157089519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).