2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-tert-butylpiperazine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole

C218H420N36O2 — CID 159407703

IUPAC2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-tert-butylpiperazine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole
SMILESCC(C)(C)C1CCOCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCN2CCCCC2C1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnn1.CC(C)(C)n1cnnn1.CC(C)(C)n1nccn1.CC(C)N1CCC[C@@H]1C(C)(C)C.CC1CCCN1C(C)(C)C.CCCN1CCC[C@@H]1C(C)(C)C.CN(C)Cc1cccc(C(C)(C)C)c1.CN(C)Cc1ccccc1C(C)(C)C.CN1CCC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.CN1CCCC(C(C)(C)C)C1.CN1CCCC1C(C)(C)C.CN1CCCCC1C(C)(C)C.CN1CCN(C(C)(C)C)CC1.Cc1nc(C)n(C(C)(C)C)n1
InChIInChI=1S/2C13H21N.C12H24N2.2C11H23N.3C10H21N.C9H20N2.3C9H19N.3C9H13N.C9H18O.C8H15N3.C8H18N2.C8H17NO.C8H17N.C7H12N2.2C6H11N3.C5H10N4/c1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;1-13(2,3)12-9-7-6-8-11(12)10-14(4)5;1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-9(2)12-8-6-7-10(12)11(3,4)5;1-5-8-12-9-6-7-10(12)11(2,3)4;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-6-5-7-11(4)8-9;1-10(2,3)9-7-5-6-8-11(9)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;1-6-9-7(2)11(10-6)8(3,4)5;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-6-4-5-8-9;1-6(2,3)9-5-4-7-8-9;1-6(2,3)9-7-4-5-8-9;1-5(2,3)9-4-6-7-8-9/h2*6-9H,10H2,1-5H3;11H,4-10H2,1-3H3;9-10H,6-8H2,1-5H3;10H,5-9H2,1-4H3;3*9H,5-8H2,1-4H3;5-8H2,1-4H3;3*8H,5-7H2,1-4H3;3*4-7H,1-3H3;8H,4-7H2,1-3H3;1-5H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3/t;;;2*10-;;;;;;;;;;;;;;;;;;;/m...11.................../s1
InChIKeyLOEDAQWFMFYXBM-OJJRTHTFSA-N
MW3578.01 g/mol
LogP47.60
Rot. Bonds7

About 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-tert-butylpiperazine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole

2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-tert-butylpiperazine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole (PubChem CID 159407703) has the molecular formula C218H420N36O2 and a molecular weight of 3578.01 g/mol. Its IUPAC name is 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-tert-butylpiperazine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole.

Molecular Properties

Compound Name2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-tert-butylpiperazine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole
PubChem CID159407703
Molecular FormulaC218H420N36O2
Molecular Weight3578.01 g/mol
Exact Mass3575.39
IUPAC Name2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-tert-butylpiperazine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole
SMILESCC(C)(C)C1CCOCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCN2CCCCC2C1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnn1.CC(C)(C)n1cnnn1.CC(C)(C)n1nccn1.CC(C)N1CCC[C@@H]1C(C)(C)C.CC1CCCN1C(C)(C)C.CCCN1CCC[C@@H]1C(C)(C)C.CN(C)Cc1cccc(C(C)(C)C)c1.CN(C)Cc1ccccc1C(C)(C)C.CN1CCC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.CN1CCCC(C(C)(C)C)C1.CN1CCCC1C(C)(C)C.CN1CCCCC1C(C)(C)C.CN1CCN(C(C)(C)C)CC1.Cc1nc(C)n(C(C)(C)C)n1
InChIInChI=1S/2C13H21N.C12H24N2.2C11H23N.3C10H21N.C9H20N2.3C9H19N.3C9H13N.C9H18O.C8H15N3.C8H18N2.C8H17NO.C8H17N.C7H12N2.2C6H11N3.C5H10N4/c1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;1-13(2,3)12-9-7-6-8-11(12)10-14(4)5;1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-9(2)12-8-6-7-10(12)11(3,4)5;1-5-8-12-9-6-7-10(12)11(2,3)4;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-6-5-7-11(4)8-9;1-10(2,3)9-7-5-6-8-11(9)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;1-6-9-7(2)11(10-6)8(3,4)5;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-6-4-5-8-9;1-6(2,3)9-5-4-7-8-9;1-6(2,3)9-7-4-5-8-9;1-5(2,3)9-4-6-7-8-9/h2*6-9H,10H2,1-5H3;11H,4-10H2,1-3H3;9-10H,6-8H2,1-5H3;10H,5-9H2,1-4H3;3*9H,5-8H2,1-4H3;5-8H2,1-4H3;3*8H,5-7H2,1-4H3;3*4-7H,1-3H3;8H,4-7H2,1-3H3;1-5H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3/t;;;2*10-;;;;;;;;;;;;;;;;;;;/m...11.................../s1
InChIKeyLOEDAQWFMFYXBM-OJJRTHTFSA-N
XLogP47.60
TPSA277.79 Ų
H-Bond Donors1
H-Bond Acceptors38
Rotatable Bonds7
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003578.01
LogP ≤ 547.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1038

Analyze 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-tert-butylpiperazine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-tert-butylpiperazine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole?
The IUPAC name of 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-tert-butylpiperazine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole (CID 159407703) is 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-tert-butylpiperazine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole.
What is the SMILES notation for 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-tert-butylpiperazine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole?
The canonical SMILES for 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-tert-butylpiperazine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole is CC(C)(C)C1CCOCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCN2CCCCC2C1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnn1.CC(C)(C)n1cnnn1.CC(C)(C)n1nccn1.CC(C)N1CCC[C@@H]1C(C)(C)C.CC1CCCN1C(C)(C)C.CCCN1CCC[C@@H]1C(C)(C)C.CN(C)Cc1cccc(C(C)(C)C)c1.CN(C)Cc1ccccc1C(C)(C)C.CN1CCC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.CN1CCCC(C(C)(C)C)C1.CN1CCCC1C(C)(C)C.CN1CCCCC1C(C)(C)C.CN1CCN(C(C)(C)C)CC1.Cc1nc(C)n(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-tert-butylpiperazine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole?
The InChIKey is LOEDAQWFMFYXBM-OJJRTHTFSA-N. The full InChI is InChI=1S/2C13H21N.C12H24N2.2C11H23N.3C10H21N.C9H20N2.3C9H19N.3C9H13N.C9H18O.C8H15N3.C8H18N2.C8H17NO.C8H17N.C7H12N2.2C6H11N3.C5H10N4/c1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;1-13(2,3)12-9-7-6-8-11(12)10-14(4)5;1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-9(2)12-8-6-7-10(12)11(3,4)5;1-5-8-12-9-6-7-10(12)11(2,3)4;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-6-5-7-11(4)8-9;1-10(2,3)9-7-5-6-8-11(9)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;1-6-9-7(2)11(10-6)8(3,4)5;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-6-4-5-8-9;1-6(2,3)9-5-4-7-8-9;1-6(2,3)9-7-4-5-8-9;1-5(2,3)9-4-6-7-8-9/h2*6-9H,10H2,1-5H3;11H,4-10H2,1-3H3;9-10H,6-8H2,1-5H3;10H,5-9H2,1-4H3;3*9H,5-8H2,1-4H3;5-8H2,1-4H3;3*8H,5-7H2,1-4H3;3*4-7H,1-3H3;8H,4-7H2,1-3H3;1-5H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3/t;;;2*10-;;;;;;;;;;;;;;;;;;;/m...11.................../s1.
What are the key properties of 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-tert-butylpiperazine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole?
2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-tert-butylpiperazine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole has a molecular weight of 3578.01 g/mol, XLogP of 47.60, 7 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butyloxane;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-tert-butylpiperazine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole is sourced from PubChem (CID 159407703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).