1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol

C222H462F2N30O17 — CID 160737708

IUPAC1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol
SMILESCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC(CO)CC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(O)C1.CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCCC(C(N)=O)C1.CC(C)(C)N1CCCC(CO)C1.CC(C)(C)N1CCCC(O)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1C(=O)O.CC(C)(C)N1CCCC1C(N)=O.CC(C)(C)N1CCCC1CO.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1CO.CC(C)(C)N1CCN(CCO)CC1.CC(C)(C)N1CCNC(=O)C1.CC(C)(C)N1CCOCC1.CC1CCC(C)N1C(C)(C)C.CC1CCCCN1C(C)(C)C.CC1CCCN(C(C)(C)C)C1.CC1CCCN1C(C)(C)C.CC1CN(C(C)(C)C)CC(C)O1.CN1CCN(C(C)(C)C)CC1.COCC1CCCN1C(C)(C)C
InChIInChI=1S/C10H20N2O.C10H22N2O.C10H20N2O.5C10H21NO.3C10H21N.C9H18N2O.C9H20N2.C9H17NO2.3C9H19NO.2C9H19N.C8H15F2N.C8H16N2O.2C8H17NO.C8H17N/c1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-10(2,3)12-6-4-11(5-7-12)8-9-13;1-10(2,3)12-6-4-5-8(7-12)9(11)13;1-8-6-11(10(3,4)5)7-9(2)12-8;1-10(2,3)11-7-5-6-9(11)8-12-4;1-10(2,3)11-6-4-9(8-12)5-7-11;1-10(2,3)11-6-4-5-9(7-11)8-12;1-10(2,3)11-7-5-4-6-9(11)8-12;1-8-6-7-9(2)11(8)10(3,4)5;1-9-6-5-7-11(8-9)10(2,3)4;1-9-7-5-6-8-11(9)10(2,3)4;1-9(2,3)11-6-4-5-7(11)8(10)12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-6-4-5-7(10)8(11)12;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)10-6-4-5-8(10)7-11;1-9(2,3)10-6-4-5-8(11)7-10;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)10-5-4-9-7(11)6-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-5-4-7(10)6-9;1-8(2,3)9-6-4-5-7-9/h5-8H2,1-4H3;13H,4-9H2,1-3H3;8H,4-7H2,1-3H3,(H2,11,13);8-9H,6-7H2,1-5H3;9H,5-8H2,1-4H3;3*9,12H,4-8H2,1-3H3;8-9H,6-7H2,1-5H3;2*9H,5-8H2,1-4H3;7H,4-6H2,1-3H3,(H2,10,12);5-8H2,1-4H3;7H,4-6H2,1-3H3,(H,11,12);3*8,11H,4-7H2,1-3H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;4-6H2,1-3H3;4-6H2,1-3H3,(H,9,11);4-7H2,1-3H3;7,10H,4-6H2,1-3H3;4-7H2,1-3H3
InChIKeyRVECRNRLPFXAGY-UHFFFAOYSA-N
MW3862.33 g/mol
LogP36.12
Rot. Bonds11

About 1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol

1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol (PubChem CID 160737708) has the molecular formula C222H462F2N30O17 and a molecular weight of 3862.33 g/mol. Its IUPAC name is 1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol
PubChem CID160737708
Molecular FormulaC222H462F2N30O17
Molecular Weight3862.33 g/mol
Exact Mass3859.62
IUPAC Name1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol
SMILESCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC(CO)CC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(O)C1.CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCCC(C(N)=O)C1.CC(C)(C)N1CCCC(CO)C1.CC(C)(C)N1CCCC(O)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1C(=O)O.CC(C)(C)N1CCCC1C(N)=O.CC(C)(C)N1CCCC1CO.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1CO.CC(C)(C)N1CCN(CCO)CC1.CC(C)(C)N1CCNC(=O)C1.CC(C)(C)N1CCOCC1.CC1CCC(C)N1C(C)(C)C.CC1CCCCN1C(C)(C)C.CC1CCCN(C(C)(C)C)C1.CC1CCCN1C(C)(C)C.CC1CN(C(C)(C)C)CC(C)O1.CN1CCN(C(C)(C)C)CC1.COCC1CCCN1C(C)(C)C
InChIInChI=1S/C10H20N2O.C10H22N2O.C10H20N2O.5C10H21NO.3C10H21N.C9H18N2O.C9H20N2.C9H17NO2.3C9H19NO.2C9H19N.C8H15F2N.C8H16N2O.2C8H17NO.C8H17N/c1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-10(2,3)12-6-4-11(5-7-12)8-9-13;1-10(2,3)12-6-4-5-8(7-12)9(11)13;1-8-6-11(10(3,4)5)7-9(2)12-8;1-10(2,3)11-7-5-6-9(11)8-12-4;1-10(2,3)11-6-4-9(8-12)5-7-11;1-10(2,3)11-6-4-5-9(7-11)8-12;1-10(2,3)11-7-5-4-6-9(11)8-12;1-8-6-7-9(2)11(8)10(3,4)5;1-9-6-5-7-11(8-9)10(2,3)4;1-9-7-5-6-8-11(9)10(2,3)4;1-9(2,3)11-6-4-5-7(11)8(10)12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-6-4-5-7(10)8(11)12;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)10-6-4-5-8(10)7-11;1-9(2,3)10-6-4-5-8(11)7-10;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)10-5-4-9-7(11)6-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-5-4-7(10)6-9;1-8(2,3)9-6-4-5-7-9/h5-8H2,1-4H3;13H,4-9H2,1-3H3;8H,4-7H2,1-3H3,(H2,11,13);8-9H,6-7H2,1-5H3;9H,5-8H2,1-4H3;3*9,12H,4-8H2,1-3H3;8-9H,6-7H2,1-5H3;2*9H,5-8H2,1-4H3;7H,4-6H2,1-3H3,(H2,10,12);5-8H2,1-4H3;7H,4-6H2,1-3H3,(H,11,12);3*8,11H,4-7H2,1-3H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;4-6H2,1-3H3;4-6H2,1-3H3,(H,9,11);4-7H2,1-3H3;7,10H,4-6H2,1-3H3;4-7H2,1-3H3
InChIKeyRVECRNRLPFXAGY-UHFFFAOYSA-N
XLogP36.12
TPSA446.66 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds11
Heavy Atoms271
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003862.33
LogP ≤ 536.12
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze 1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol?
The IUPAC name of 1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol (CID 160737708) is 1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol.
What is the SMILES notation for 1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol?
The canonical SMILES for 1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol is CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC(CO)CC1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(O)C1.CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCCC(C(N)=O)C1.CC(C)(C)N1CCCC(CO)C1.CC(C)(C)N1CCCC(O)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1C(=O)O.CC(C)(C)N1CCCC1C(N)=O.CC(C)(C)N1CCCC1CO.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1CO.CC(C)(C)N1CCN(CCO)CC1.CC(C)(C)N1CCNC(=O)C1.CC(C)(C)N1CCOCC1.CC1CCC(C)N1C(C)(C)C.CC1CCCCN1C(C)(C)C.CC1CCCN(C(C)(C)C)C1.CC1CCCN1C(C)(C)C.CC1CN(C(C)(C)C)CC(C)O1.CN1CCN(C(C)(C)C)CC1.COCC1CCCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol?
The InChIKey is RVECRNRLPFXAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C10H22N2O.C10H20N2O.5C10H21NO.3C10H21N.C9H18N2O.C9H20N2.C9H17NO2.3C9H19NO.2C9H19N.C8H15F2N.C8H16N2O.2C8H17NO.C8H17N/c1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-10(2,3)12-6-4-11(5-7-12)8-9-13;1-10(2,3)12-6-4-5-8(7-12)9(11)13;1-8-6-11(10(3,4)5)7-9(2)12-8;1-10(2,3)11-7-5-6-9(11)8-12-4;1-10(2,3)11-6-4-9(8-12)5-7-11;1-10(2,3)11-6-4-5-9(7-11)8-12;1-10(2,3)11-7-5-4-6-9(11)8-12;1-8-6-7-9(2)11(8)10(3,4)5;1-9-6-5-7-11(8-9)10(2,3)4;1-9-7-5-6-8-11(9)10(2,3)4;1-9(2,3)11-6-4-5-7(11)8(10)12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-6-4-5-7(10)8(11)12;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)10-6-4-5-8(10)7-11;1-9(2,3)10-6-4-5-8(11)7-10;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)10-5-4-9-7(11)6-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-5-4-7(10)6-9;1-8(2,3)9-6-4-5-7-9/h5-8H2,1-4H3;13H,4-9H2,1-3H3;8H,4-7H2,1-3H3,(H2,11,13);8-9H,6-7H2,1-5H3;9H,5-8H2,1-4H3;3*9,12H,4-8H2,1-3H3;8-9H,6-7H2,1-5H3;2*9H,5-8H2,1-4H3;7H,4-6H2,1-3H3,(H2,10,12);5-8H2,1-4H3;7H,4-6H2,1-3H3,(H,11,12);3*8,11H,4-7H2,1-3H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;4-6H2,1-3H3;4-6H2,1-3H3,(H,9,11);4-7H2,1-3H3;7,10H,4-6H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol?
1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol has a molecular weight of 3862.33 g/mol, XLogP of 36.12, 11 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 160737708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).