N-tert-butylaniline;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol

C135H220N16O16 — CID 160961752

IUPACN-tert-butylaniline;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol
SMILESCC(C)(C)C(=O)CC1CC1.CC(C)(C)C(=O)Cc1ccc2[nH]ncc2c1.CC(C)(C)C(=O)Cc1ccc2c(c1)CN=C2.CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)C(=O)O.CC(C)(C)C(C)(C)O.CC(C)(C)N1CCN(c2ccncc2)CC1.CC(C)(C)N1CCn2ncnc2C1.CC(C)(C)Nc1ccccc1.CC(C)(C)O.CC(C)(C)OCc1ccccn1.CCOC(=O)C(C)(C)C.COc1cc2ncnc(CC(=O)C(C)(C)C)c2cc1OC
InChIInChI=1S/C16H20N2O3.C14H17NO.C13H21N3.C13H16N2O.C10H15NO.C10H15N.C9H16N4.C9H17NO2.C9H17NO.C9H16O.C7H14O2.C7H16O.C5H10O2.C4H10O/c1-16(2,3)15(19)8-12-10-6-13(20-4)14(21-5)7-11(10)17-9-18-12;1-14(2,3)13(16)7-10-4-5-11-8-15-9-12(11)6-10;1-13(2,3)16-10-8-15(9-11-16)12-4-6-14-7-5-12;1-13(2,3)12(16)7-9-4-5-11-10(6-9)8-14-15-11;1-10(2,3)12-8-9-6-4-5-7-11-9;1-10(2,3)11-9-7-5-4-6-8-9;1-9(2,3)12-4-5-13-8(6-12)10-7-11-13;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)10-6-4-5-7-10;1-9(2,3)8(10)6-7-4-5-7;1-5-9-6(8)7(2,3)4;1-6(2,3)7(4,5)8;1-5(2,3)4(6)7;1-4(2,3)5/h6-7,9H,8H2,1-5H3;4-6,8H,7,9H2,1-3H3;4-7H,8-11H2,1-3H3;4-6,8H,7H2,1-3H3,(H,14,15);4-7H,8H2,1-3H3;4-8,11H,1-3H3;7H,4-6H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;7H,4-6H2,1-3H3;5H2,1-4H3;8H,1-5H3;1-3H3,(H,6,7);5H,1-3H3
InChIKeySXCFDHWRDZLFOZ-UHFFFAOYSA-N
MW2323.34 g/mol
LogP26.73
Rot. Bonds15

About N-tert-butylaniline;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol

N-tert-butylaniline;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol (PubChem CID 160961752) has the molecular formula C135H220N16O16 and a molecular weight of 2323.34 g/mol. Its IUPAC name is N-tert-butylaniline;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol.

Molecular Properties

Compound NameN-tert-butylaniline;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol
PubChem CID160961752
Molecular FormulaC135H220N16O16
Molecular Weight2323.34 g/mol
Exact Mass2321.69
IUPAC NameN-tert-butylaniline;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol
SMILESCC(C)(C)C(=O)CC1CC1.CC(C)(C)C(=O)Cc1ccc2[nH]ncc2c1.CC(C)(C)C(=O)Cc1ccc2c(c1)CN=C2.CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)C(=O)O.CC(C)(C)C(C)(C)O.CC(C)(C)N1CCN(c2ccncc2)CC1.CC(C)(C)N1CCn2ncnc2C1.CC(C)(C)Nc1ccccc1.CC(C)(C)O.CC(C)(C)OCc1ccccn1.CCOC(=O)C(C)(C)C.COc1cc2ncnc(CC(=O)C(C)(C)C)c2cc1OC
InChIInChI=1S/C16H20N2O3.C14H17NO.C13H21N3.C13H16N2O.C10H15NO.C10H15N.C9H16N4.C9H17NO2.C9H17NO.C9H16O.C7H14O2.C7H16O.C5H10O2.C4H10O/c1-16(2,3)15(19)8-12-10-6-13(20-4)14(21-5)7-11(10)17-9-18-12;1-14(2,3)13(16)7-10-4-5-11-8-15-9-12(11)6-10;1-13(2,3)16-10-8-15(9-11-16)12-4-6-14-7-5-12;1-13(2,3)12(16)7-9-4-5-11-10(6-9)8-14-15-11;1-10(2,3)12-8-9-6-4-5-7-11-9;1-10(2,3)11-9-7-5-4-6-8-9;1-9(2,3)12-4-5-13-8(6-12)10-7-11-13;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)10-6-4-5-7-10;1-9(2,3)8(10)6-7-4-5-7;1-5-9-6(8)7(2,3)4;1-6(2,3)7(4,5)8;1-5(2,3)4(6)7;1-4(2,3)5/h6-7,9H,8H2,1-5H3;4-6,8H,7,9H2,1-3H3;4-7H,8-11H2,1-3H3;4-6,8H,7H2,1-3H3,(H,14,15);4-7H,8H2,1-3H3;4-8,11H,1-3H3;7H,4-6H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;7H,4-6H2,1-3H3;5H2,1-4H3;8H,1-5H3;1-3H3,(H,6,7);5H,1-3H3
InChIKeySXCFDHWRDZLFOZ-UHFFFAOYSA-N
XLogP26.73
TPSA394.94 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002323.34
LogP ≤ 526.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze N-tert-butylaniline;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol 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 N-tert-butylaniline;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol?
The IUPAC name of N-tert-butylaniline;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol (CID 160961752) is N-tert-butylaniline;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol.
What is the SMILES notation for N-tert-butylaniline;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol?
The canonical SMILES for N-tert-butylaniline;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol is CC(C)(C)C(=O)CC1CC1.CC(C)(C)C(=O)Cc1ccc2[nH]ncc2c1.CC(C)(C)C(=O)Cc1ccc2c(c1)CN=C2.CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)C(=O)O.CC(C)(C)C(C)(C)O.CC(C)(C)N1CCN(c2ccncc2)CC1.CC(C)(C)N1CCn2ncnc2C1.CC(C)(C)Nc1ccccc1.CC(C)(C)O.CC(C)(C)OCc1ccccn1.CCOC(=O)C(C)(C)C.COc1cc2ncnc(CC(=O)C(C)(C)C)c2cc1OC.
What is the InChIKey of N-tert-butylaniline;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol?
The InChIKey is SXCFDHWRDZLFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3.C14H17NO.C13H21N3.C13H16N2O.C10H15NO.C10H15N.C9H16N4.C9H17NO2.C9H17NO.C9H16O.C7H14O2.C7H16O.C5H10O2.C4H10O/c1-16(2,3)15(19)8-12-10-6-13(20-4)14(21-5)7-11(10)17-9-18-12;1-14(2,3)13(16)7-10-4-5-11-8-15-9-12(11)6-10;1-13(2,3)16-10-8-15(9-11-16)12-4-6-14-7-5-12;1-13(2,3)12(16)7-9-4-5-11-10(6-9)8-14-15-11;1-10(2,3)12-8-9-6-4-5-7-11-9;1-10(2,3)11-9-7-5-4-6-8-9;1-9(2,3)12-4-5-13-8(6-12)10-7-11-13;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)10-6-4-5-7-10;1-9(2,3)8(10)6-7-4-5-7;1-5-9-6(8)7(2,3)4;1-6(2,3)7(4,5)8;1-5(2,3)4(6)7;1-4(2,3)5/h6-7,9H,8H2,1-5H3;4-6,8H,7,9H2,1-3H3;4-7H,8-11H2,1-3H3;4-6,8H,7H2,1-3H3,(H,14,15);4-7H,8H2,1-3H3;4-8,11H,1-3H3;7H,4-6H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;7H,4-6H2,1-3H3;5H2,1-4H3;8H,1-5H3;1-3H3,(H,6,7);5H,1-3H3.
What are the key properties of N-tert-butylaniline;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol?
N-tert-butylaniline;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol has a molecular weight of 2323.34 g/mol, XLogP of 26.73, 15 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylaniline;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol is sourced from PubChem (CID 160961752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).