1-[3-(tert-butylamino)propyl]pyrrolidin-2-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethoxypiperidine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-N-methylpiperidine-4-carboxamide;4-tert-butylmorpholine;N-(4-tert-butylpiperazin-1-yl)acetamide;1-(4-tert-butylpiperazin-1-yl)butan-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;4-(2,2-dimethylpropyl)morpholine

C232H484FN35O12 — CID 158213143

IUPAC1-[3-(tert-butylamino)propyl]pyrrolidin-2-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethoxypiperidine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-N-methylpiperidine-4-carboxamide;4-tert-butylmorpholine;N-(4-tert-butylpiperazin-1-yl)acetamide;1-(4-tert-butylpiperazin-1-yl)butan-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;4-(2,2-dimethylpropyl)morpholine
SMILESCC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)NN1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCNCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)N1CCC(CO)CC1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCN2CCCCC2C1.CC(C)(C)N1CCOCC1.CC(C)(C)NCCCN1CCCC1=O.CC(C)N1CCN(C(C)(C)C)CC1.CC1(O)CN(C(C)(C)C)C1.CCC(=O)CN1CCN(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CCOC1CCN(C(C)(C)C)CC1.CN(C)C1CCN(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CNC(=O)C1CCN(C(C)(C)C)CC1.COC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H26N2.C12H24N2O.C12H24N2.2C11H22N2O.C11H24N2.C11H23NO.C11H23N.C10H21N3O.C10H20N2O.2C10H22N2.2C10H21NO.C10H21N.C9H18FN.C9H20N2.2C9H19NO.2C9H19N.2C8H17NO/c1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-5-11(15)10-13-6-8-14(9-7-13)12(2,3)4;1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-7-5-9(6-8-13)10(14)12-4;1-11(2,3)12-7-5-9-13-8-4-6-10(13)14;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-5-13-10-6-8-12(9-7-10)11(2,3)4;1-5-12-8-6-10(7-9-12)11(2,3)4;1-9(14)11-13-7-5-12(6-8-13)10(2,3)4;1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-10(2,3)12-7-6-9(8-12)11(4)5;1-5-11-6-8-12(9-7-11)10(2,3)4;1-10(2,3)11-7-5-9(12-4)6-8-11;1-10(2,3)11-6-4-9(8-12)5-7-11;1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8-10-4-6-11-7-5-10;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)9-5-8(4,10)6-9;1-8(2,3)9-4-6-10-7-5-9/h12H,4-11H2,1-3H3;5-10H2,1-4H3;11H,4-10H2,1-3H3;9H,5-8H2,1-4H3,(H,12,14);12H,4-9H2,1-3H3;10H,6-9H2,1-5H3;10H,5-9H2,1-4H3;10H,5-9H2,1-4H3;5-8H2,1-4H3,(H,11,14);5-8H2,1-4H3;9H,6-8H2,1-5H3;5-9H2,1-4H3;9H,5-8H2,1-4H3;9,12H,4-8H2,1-3H3;9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;5-8H2,1-4H3;4-8H2,1-3H3;8,11H,4-7H2,1-3H3;8,10H,4-7H2,1-3H3;4-8H2,1-3H3;10H,5-6H2,1-4H3;4-7H2,1-3H3
InChIKeyGCHZOEJPHBHVNX-UHFFFAOYSA-N
MW3975.65 g/mol
LogP37.31
Rot. Bonds19

About 1-[3-(tert-butylamino)propyl]pyrrolidin-2-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethoxypiperidine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-N-methylpiperidine-4-carboxamide;4-tert-butylmorpholine;N-(4-tert-butylpiperazin-1-yl)acetamide;1-(4-tert-butylpiperazin-1-yl)butan-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;4-(2,2-dimethylpropyl)morpholine

1-[3-(tert-butylamino)propyl]pyrrolidin-2-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethoxypiperidine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-N-methylpiperidine-4-carboxamide;4-tert-butylmorpholine;N-(4-tert-butylpiperazin-1-yl)acetamide;1-(4-tert-butylpiperazin-1-yl)butan-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;4-(2,2-dimethylpropyl)morpholine (PubChem CID 158213143) has the molecular formula C232H484FN35O12 and a molecular weight of 3975.65 g/mol. Its IUPAC name is 1-[3-(tert-butylamino)propyl]pyrrolidin-2-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethoxypiperidine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-N-methylpiperidine-4-carboxamide;4-tert-butylmorpholine;N-(4-tert-butylpiperazin-1-yl)acetamide;1-(4-tert-butylpiperazin-1-yl)butan-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;4-(2,2-dimethylpropyl)morpholine.

Molecular Properties

Compound Name1-[3-(tert-butylamino)propyl]pyrrolidin-2-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethoxypiperidine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-N-methylpiperidine-4-carboxamide;4-tert-butylmorpholine;N-(4-tert-butylpiperazin-1-yl)acetamide;1-(4-tert-butylpiperazin-1-yl)butan-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;4-(2,2-dimethylpropyl)morpholine
PubChem CID158213143
Molecular FormulaC232H484FN35O12
Molecular Weight3975.65 g/mol
Exact Mass3972.83
IUPAC Name1-[3-(tert-butylamino)propyl]pyrrolidin-2-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethoxypiperidine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-N-methylpiperidine-4-carboxamide;4-tert-butylmorpholine;N-(4-tert-butylpiperazin-1-yl)acetamide;1-(4-tert-butylpiperazin-1-yl)butan-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;4-(2,2-dimethylpropyl)morpholine
SMILESCC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)NN1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCNCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)N1CCC(CO)CC1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCN2CCCCC2C1.CC(C)(C)N1CCOCC1.CC(C)(C)NCCCN1CCCC1=O.CC(C)N1CCN(C(C)(C)C)CC1.CC1(O)CN(C(C)(C)C)C1.CCC(=O)CN1CCN(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CCOC1CCN(C(C)(C)C)CC1.CN(C)C1CCN(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CNC(=O)C1CCN(C(C)(C)C)CC1.COC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H26N2.C12H24N2O.C12H24N2.2C11H22N2O.C11H24N2.C11H23NO.C11H23N.C10H21N3O.C10H20N2O.2C10H22N2.2C10H21NO.C10H21N.C9H18FN.C9H20N2.2C9H19NO.2C9H19N.2C8H17NO/c1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-5-11(15)10-13-6-8-14(9-7-13)12(2,3)4;1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-7-5-9(6-8-13)10(14)12-4;1-11(2,3)12-7-5-9-13-8-4-6-10(13)14;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-5-13-10-6-8-12(9-7-10)11(2,3)4;1-5-12-8-6-10(7-9-12)11(2,3)4;1-9(14)11-13-7-5-12(6-8-13)10(2,3)4;1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-10(2,3)12-7-6-9(8-12)11(4)5;1-5-11-6-8-12(9-7-11)10(2,3)4;1-10(2,3)11-7-5-9(12-4)6-8-11;1-10(2,3)11-6-4-9(8-12)5-7-11;1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8-10-4-6-11-7-5-10;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)9-5-8(4,10)6-9;1-8(2,3)9-4-6-10-7-5-9/h12H,4-11H2,1-3H3;5-10H2,1-4H3;11H,4-10H2,1-3H3;9H,5-8H2,1-4H3,(H,12,14);12H,4-9H2,1-3H3;10H,6-9H2,1-5H3;10H,5-9H2,1-4H3;10H,5-9H2,1-4H3;5-8H2,1-4H3,(H,11,14);5-8H2,1-4H3;9H,6-8H2,1-5H3;5-9H2,1-4H3;9H,5-8H2,1-4H3;9,12H,4-8H2,1-3H3;9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;5-8H2,1-4H3;4-8H2,1-3H3;8,11H,4-7H2,1-3H3;8,10H,4-7H2,1-3H3;4-8H2,1-3H3;10H,5-6H2,1-4H3;4-7H2,1-3H3
InChIKeyGCHZOEJPHBHVNX-UHFFFAOYSA-N
XLogP37.31
TPSA331.52 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds19
Heavy Atoms280
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003975.65
LogP ≤ 537.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 1-[3-(tert-butylamino)propyl]pyrrolidin-2-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethoxypiperidine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-N-methylpiperidine-4-carboxamide;4-tert-butylmorpholine;N-(4-tert-butylpiperazin-1-yl)acetamide;1-(4-tert-butylpiperazin-1-yl)butan-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;4-(2,2-dimethylpropyl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylamino)propyl]pyrrolidin-2-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethoxypiperidine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-N-methylpiperidine-4-carboxamide;4-tert-butylmorpholine;N-(4-tert-butylpiperazin-1-yl)acetamide;1-(4-tert-butylpiperazin-1-yl)butan-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;4-(2,2-dimethylpropyl)morpholine?
The IUPAC name of 1-[3-(tert-butylamino)propyl]pyrrolidin-2-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethoxypiperidine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-N-methylpiperidine-4-carboxamide;4-tert-butylmorpholine;N-(4-tert-butylpiperazin-1-yl)acetamide;1-(4-tert-butylpiperazin-1-yl)butan-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;4-(2,2-dimethylpropyl)morpholine (CID 158213143) is 1-[3-(tert-butylamino)propyl]pyrrolidin-2-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethoxypiperidine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-N-methylpiperidine-4-carboxamide;4-tert-butylmorpholine;N-(4-tert-butylpiperazin-1-yl)acetamide;1-(4-tert-butylpiperazin-1-yl)butan-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;4-(2,2-dimethylpropyl)morpholine.
What is the SMILES notation for 1-[3-(tert-butylamino)propyl]pyrrolidin-2-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethoxypiperidine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-N-methylpiperidine-4-carboxamide;4-tert-butylmorpholine;N-(4-tert-butylpiperazin-1-yl)acetamide;1-(4-tert-butylpiperazin-1-yl)butan-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;4-(2,2-dimethylpropyl)morpholine?
The canonical SMILES for 1-[3-(tert-butylamino)propyl]pyrrolidin-2-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethoxypiperidine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-N-methylpiperidine-4-carboxamide;4-tert-butylmorpholine;N-(4-tert-butylpiperazin-1-yl)acetamide;1-(4-tert-butylpiperazin-1-yl)butan-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;4-(2,2-dimethylpropyl)morpholine is CC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)NN1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCNCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)N1CCC(CO)CC1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCN2CCCCC2C1.CC(C)(C)N1CCOCC1.CC(C)(C)NCCCN1CCCC1=O.CC(C)N1CCN(C(C)(C)C)CC1.CC1(O)CN(C(C)(C)C)C1.CCC(=O)CN1CCN(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CCOC1CCN(C(C)(C)C)CC1.CN(C)C1CCN(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CNC(=O)C1CCN(C(C)(C)C)CC1.COC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-[3-(tert-butylamino)propyl]pyrrolidin-2-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethoxypiperidine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-N-methylpiperidine-4-carboxamide;4-tert-butylmorpholine;N-(4-tert-butylpiperazin-1-yl)acetamide;1-(4-tert-butylpiperazin-1-yl)butan-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;4-(2,2-dimethylpropyl)morpholine?
The InChIKey is GCHZOEJPHBHVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C12H24N2O.C12H24N2.2C11H22N2O.C11H24N2.C11H23NO.C11H23N.C10H21N3O.C10H20N2O.2C10H22N2.2C10H21NO.C10H21N.C9H18FN.C9H20N2.2C9H19NO.2C9H19N.2C8H17NO/c1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-5-11(15)10-13-6-8-14(9-7-13)12(2,3)4;1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-7-5-9(6-8-13)10(14)12-4;1-11(2,3)12-7-5-9-13-8-4-6-10(13)14;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-5-13-10-6-8-12(9-7-10)11(2,3)4;1-5-12-8-6-10(7-9-12)11(2,3)4;1-9(14)11-13-7-5-12(6-8-13)10(2,3)4;1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-10(2,3)12-7-6-9(8-12)11(4)5;1-5-11-6-8-12(9-7-11)10(2,3)4;1-10(2,3)11-7-5-9(12-4)6-8-11;1-10(2,3)11-6-4-9(8-12)5-7-11;1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8-10-4-6-11-7-5-10;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)9-5-8(4,10)6-9;1-8(2,3)9-4-6-10-7-5-9/h12H,4-11H2,1-3H3;5-10H2,1-4H3;11H,4-10H2,1-3H3;9H,5-8H2,1-4H3,(H,12,14);12H,4-9H2,1-3H3;10H,6-9H2,1-5H3;10H,5-9H2,1-4H3;10H,5-9H2,1-4H3;5-8H2,1-4H3,(H,11,14);5-8H2,1-4H3;9H,6-8H2,1-5H3;5-9H2,1-4H3;9H,5-8H2,1-4H3;9,12H,4-8H2,1-3H3;9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;5-8H2,1-4H3;4-8H2,1-3H3;8,11H,4-7H2,1-3H3;8,10H,4-7H2,1-3H3;4-8H2,1-3H3;10H,5-6H2,1-4H3;4-7H2,1-3H3.
What are the key properties of 1-[3-(tert-butylamino)propyl]pyrrolidin-2-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethoxypiperidine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-N-methylpiperidine-4-carboxamide;4-tert-butylmorpholine;N-(4-tert-butylpiperazin-1-yl)acetamide;1-(4-tert-butylpiperazin-1-yl)butan-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;4-(2,2-dimethylpropyl)morpholine?
1-[3-(tert-butylamino)propyl]pyrrolidin-2-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethoxypiperidine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-N-methylpiperidine-4-carboxamide;4-tert-butylmorpholine;N-(4-tert-butylpiperazin-1-yl)acetamide;1-(4-tert-butylpiperazin-1-yl)butan-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;4-(2,2-dimethylpropyl)morpholine has a molecular weight of 3975.65 g/mol, XLogP of 37.31, 19 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylamino)propyl]pyrrolidin-2-one;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethoxypiperidine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-4-fluoropiperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylazetidin-3-ol;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-N-methylpiperidine-4-carboxamide;4-tert-butylmorpholine;N-(4-tert-butylpiperazin-1-yl)acetamide;1-(4-tert-butylpiperazin-1-yl)butan-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;4-(2,2-dimethylpropyl)morpholine is sourced from PubChem (CID 158213143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).