2-tert-butyl-3,3-dimethylbutan-1-amine;2-tert-butyl-3,3-dimethylbutanoic acid;1-(2-tert-butyl-3,3-dimethylbutyl)azetidine;(2-tert-butyl-3,3-dimethylbutyl)cyclopropane;4-(2-tert-butyl-3,3-dimethylbutyl)morpholine;1-(2-tert-butyl-3,3-dimethylbutyl)piperidine;1-(2-tert-butyl-3,3-dimethylbutyl)pyrrolidine;3-tert-butyl-2,2-dimethylhexane;4-tert-butyl-5,5-dimethylhex-1-ene;3-tert-butyl-4,4-dimethylpentanenitrile;3-tert-butyl-4,4-dimethylpentan-2-ol;3-tert-butyl-4,4-dimethylpent-1-ene;2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine;3-tert-butyl-1,1,1-trifluoro-4,4-dimethylpentane;2-tert-butyl-N,3,3-trimethylbutanamide;2-tert-butyl-N,3,3-trimethylbutan-1-amine;3-tert-butyl-2,2,5-trimethylhexane;3-ethyl-2,2,4,4-tetramethylpentan-3-ol;3-(1-methoxyethyl)-2,2,4,4-tetramethylpentane;3-(methoxymethyl)-2,2,4,4-tetramethylpentane;1-methyl-3-(2,2,4,4-tetramethylpentan-3-yl)azetidine;2,2,3,4,4-pentamethylpentan-3-ol;2,2,4,4-tetramethylpentan-3-ylcyclobutane;2,2,4,4-tetramethyl-3-(trifluoromethyl)pentane

C284H594F6N10O9 — CID 158527310

IUPAC2-tert-butyl-3,3-dimethylbutan-1-amine;2-tert-butyl-3,3-dimethylbutanoic acid;1-(2-tert-butyl-3,3-dimethylbutyl)azetidine;(2-tert-butyl-3,3-dimethylbutyl)cyclopropane;4-(2-tert-butyl-3,3-dimethylbutyl)morpholine;1-(2-tert-butyl-3,3-dimethylbutyl)piperidine;1-(2-tert-butyl-3,3-dimethylbutyl)pyrrolidine;3-tert-butyl-2,2-dimethylhexane;4-tert-butyl-5,5-dimethylhex-1-ene;3-tert-butyl-4,4-dimethylpentanenitrile;3-tert-butyl-4,4-dimethylpentan-2-ol;3-tert-butyl-4,4-dimethylpent-1-ene;2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine;3-tert-butyl-1,1,1-trifluoro-4,4-dimethylpentane;2-tert-butyl-N,3,3-trimethylbutanamide;2-tert-butyl-N,3,3-trimethylbutan-1-amine;3-tert-butyl-2,2,5-trimethylhexane;3-ethyl-2,2,4,4-tetramethylpentan-3-ol;3-(1-methoxyethyl)-2,2,4,4-tetramethylpentane;3-(methoxymethyl)-2,2,4,4-tetramethylpentane;1-methyl-3-(2,2,4,4-tetramethylpentan-3-yl)azetidine;2,2,3,4,4-pentamethylpentan-3-ol;2,2,4,4-tetramethylpentan-3-ylcyclobutane;2,2,4,4-tetramethyl-3-(trifluoromethyl)pentane
SMILESC=CC(C(C)(C)C)C(C)(C)C.C=CCC(C(C)(C)C)C(C)(C)C.CC(C)(C)C(C(=O)O)C(C)(C)C.CC(C)(C)C(C(C)(C)C)C(F)(F)F.CC(C)(C)C(C)(O)C(C)(C)C.CC(C)(C)C(C1CCC1)C(C)(C)C.CC(C)(C)C(CC#N)C(C)(C)C.CC(C)(C)C(CC(F)(F)F)C(C)(C)C.CC(C)(C)C(CC1CC1)C(C)(C)C.CC(C)(C)C(CN)C(C)(C)C.CC(C)(C)C(CN1CCC1)C(C)(C)C.CC(C)(C)C(CN1CCCC1)C(C)(C)C.CC(C)(C)C(CN1CCCCC1)C(C)(C)C.CC(C)(C)C(CN1CCOCC1)C(C)(C)C.CC(C)CC(C(C)(C)C)C(C)(C)C.CC(O)C(C(C)(C)C)C(C)(C)C.CCC(O)(C(C)(C)C)C(C)(C)C.CCCC(C(C)(C)C)C(C)(C)C.CN(C)CC(C(C)(C)C)C(C)(C)C.CN1CC(C(C(C)(C)C)C(C)(C)C)C1.CNC(=O)C(C(C)(C)C)C(C)(C)C.CNCC(C(C)(C)C)C(C)(C)C.COC(C)C(C(C)(C)C)C(C)(C)C.COCC(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31N.C14H29NO.C14H29N.2C13H27N.2C13H26.C13H28.C12H27N.C12H26O.C12H26.C12H24.C11H21F3.C11H23NO.C11H25N.C11H21N.3C11H24O.C11H22.C10H19F3.C10H23N.C10H20O2.C10H22O/c1-14(2,3)13(15(4,5)6)12-16-10-8-7-9-11-16;1-13(2,3)12(14(4,5)6)11-15-7-9-16-10-8-15;1-13(2,3)12(14(4,5)6)11-15-9-7-8-10-15;1-12(2,3)11(13(4,5)6)10-8-14(7)9-10;1-12(2,3)11(13(4,5)6)10-14-8-7-9-14;1-12(2,3)11(13(4,5)6)9-10-7-8-10;1-12(2,3)11(13(4,5)6)10-8-7-9-10;1-10(2)9-11(12(3,4)5)13(6,7)8;1-11(2,3)10(9-13(7)8)12(4,5)6;1-9(13-8)10(11(2,3)4)12(5,6)7;2*1-8-9-10(11(2,3)4)12(5,6)7;1-9(2,3)8(10(4,5)6)7-11(12,13)14;1-10(2,3)8(9(13)12-7)11(4,5)6;1-10(2,3)9(8-12-7)11(4,5)6;1-10(2,3)9(7-8-12)11(4,5)6;1-10(2,3)9(8-12-7)11(4,5)6;1-8(12)9(10(2,3)4)11(5,6)7;1-8-11(12,9(2,3)4)10(5,6)7;1-8-9(10(2,3)4)11(5,6)7;1-8(2,3)7(9(4,5)6)10(11,12)13;1-9(2,3)8(7-11)10(4,5)6;1-9(2,3)7(8(11)12)10(4,5)6;1-8(2,3)10(7,11)9(4,5)6/h13H,7-12H2,1-6H3;12H,7-11H2,1-6H3;12H,7-11H2,1-6H3;10-11H,8-9H2,1-7H3;11H,7-10H2,1-6H3;2*10-11H,7-9H2,1-6H3;10-11H,9H2,1-8H3;10H,9H2,1-8H3;9-10H,1-8H3;10H,8-9H2,1-7H3;8,10H,1,9H2,2-7H3;8H,7H2,1-6H3;8H,1-7H3,(H,12,13);9,12H,8H2,1-7H3;9H,7H2,1-6H3;9H,8H2,1-7H3;8-9,12H,1-7H3;12H,8H2,1-7H3;8-9H,1H2,2-7H3;7H,1-6H3;8H,7,11H2,1-6H3;7H,1-6H3,(H,11,12);11H,1-7H3
InChIKeyHMYCMULNHVXFCW-UHFFFAOYSA-N
MW4407.92 g/mol
LogP87.27
Rot. Bonds34

About 2-tert-butyl-3,3-dimethylbutan-1-amine;2-tert-butyl-3,3-dimethylbutanoic acid;1-(2-tert-butyl-3,3-dimethylbutyl)azetidine;(2-tert-butyl-3,3-dimethylbutyl)cyclopropane;4-(2-tert-butyl-3,3-dimethylbutyl)morpholine;1-(2-tert-butyl-3,3-dimethylbutyl)piperidine;1-(2-tert-butyl-3,3-dimethylbutyl)pyrrolidine;3-tert-butyl-2,2-dimethylhexane;4-tert-butyl-5,5-dimethylhex-1-ene;3-tert-butyl-4,4-dimethylpentanenitrile;3-tert-butyl-4,4-dimethylpentan-2-ol;3-tert-butyl-4,4-dimethylpent-1-ene;2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine;3-tert-butyl-1,1,1-trifluoro-4,4-dimethylpentane;2-tert-butyl-N,3,3-trimethylbutanamide;2-tert-butyl-N,3,3-trimethylbutan-1-amine;3-tert-butyl-2,2,5-trimethylhexane;3-ethyl-2,2,4,4-tetramethylpentan-3-ol;3-(1-methoxyethyl)-2,2,4,4-tetramethylpentane;3-(methoxymethyl)-2,2,4,4-tetramethylpentane;1-methyl-3-(2,2,4,4-tetramethylpentan-3-yl)azetidine;2,2,3,4,4-pentamethylpentan-3-ol;2,2,4,4-tetramethylpentan-3-ylcyclobutane;2,2,4,4-tetramethyl-3-(trifluoromethyl)pentane

2-tert-butyl-3,3-dimethylbutan-1-amine;2-tert-butyl-3,3-dimethylbutanoic acid;1-(2-tert-butyl-3,3-dimethylbutyl)azetidine;(2-tert-butyl-3,3-dimethylbutyl)cyclopropane;4-(2-tert-butyl-3,3-dimethylbutyl)morpholine;1-(2-tert-butyl-3,3-dimethylbutyl)piperidine;1-(2-tert-butyl-3,3-dimethylbutyl)pyrrolidine;3-tert-butyl-2,2-dimethylhexane;4-tert-butyl-5,5-dimethylhex-1-ene;3-tert-butyl-4,4-dimethylpentanenitrile;3-tert-butyl-4,4-dimethylpentan-2-ol;3-tert-butyl-4,4-dimethylpent-1-ene;2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine;3-tert-butyl-1,1,1-trifluoro-4,4-dimethylpentane;2-tert-butyl-N,3,3-trimethylbutanamide;2-tert-butyl-N,3,3-trimethylbutan-1-amine;3-tert-butyl-2,2,5-trimethylhexane;3-ethyl-2,2,4,4-tetramethylpentan-3-ol;3-(1-methoxyethyl)-2,2,4,4-tetramethylpentane;3-(methoxymethyl)-2,2,4,4-tetramethylpentane;1-methyl-3-(2,2,4,4-tetramethylpentan-3-yl)azetidine;2,2,3,4,4-pentamethylpentan-3-ol;2,2,4,4-tetramethylpentan-3-ylcyclobutane;2,2,4,4-tetramethyl-3-(trifluoromethyl)pentane (PubChem CID 158527310) has the molecular formula C284H594F6N10O9 and a molecular weight of 4407.92 g/mol. Its IUPAC name is 2-tert-butyl-3,3-dimethylbutan-1-amine;2-tert-butyl-3,3-dimethylbutanoic acid;1-(2-tert-butyl-3,3-dimethylbutyl)azetidine;(2-tert-butyl-3,3-dimethylbutyl)cyclopropane;4-(2-tert-butyl-3,3-dimethylbutyl)morpholine;1-(2-tert-butyl-3,3-dimethylbutyl)piperidine;1-(2-tert-butyl-3,3-dimethylbutyl)pyrrolidine;3-tert-butyl-2,2-dimethylhexane;4-tert-butyl-5,5-dimethylhex-1-ene;3-tert-butyl-4,4-dimethylpentanenitrile;3-tert-butyl-4,4-dimethylpentan-2-ol;3-tert-butyl-4,4-dimethylpent-1-ene;2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine;3-tert-butyl-1,1,1-trifluoro-4,4-dimethylpentane;2-tert-butyl-N,3,3-trimethylbutanamide;2-tert-butyl-N,3,3-trimethylbutan-1-amine;3-tert-butyl-2,2,5-trimethylhexane;3-ethyl-2,2,4,4-tetramethylpentan-3-ol;3-(1-methoxyethyl)-2,2,4,4-tetramethylpentane;3-(methoxymethyl)-2,2,4,4-tetramethylpentane;1-methyl-3-(2,2,4,4-tetramethylpentan-3-yl)azetidine;2,2,3,4,4-pentamethylpentan-3-ol;2,2,4,4-tetramethylpentan-3-ylcyclobutane;2,2,4,4-tetramethyl-3-(trifluoromethyl)pentane.

Molecular Properties

Compound Name2-tert-butyl-3,3-dimethylbutan-1-amine;2-tert-butyl-3,3-dimethylbutanoic acid;1-(2-tert-butyl-3,3-dimethylbutyl)azetidine;(2-tert-butyl-3,3-dimethylbutyl)cyclopropane;4-(2-tert-butyl-3,3-dimethylbutyl)morpholine;1-(2-tert-butyl-3,3-dimethylbutyl)piperidine;1-(2-tert-butyl-3,3-dimethylbutyl)pyrrolidine;3-tert-butyl-2,2-dimethylhexane;4-tert-butyl-5,5-dimethylhex-1-ene;3-tert-butyl-4,4-dimethylpentanenitrile;3-tert-butyl-4,4-dimethylpentan-2-ol;3-tert-butyl-4,4-dimethylpent-1-ene;2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine;3-tert-butyl-1,1,1-trifluoro-4,4-dimethylpentane;2-tert-butyl-N,3,3-trimethylbutanamide;2-tert-butyl-N,3,3-trimethylbutan-1-amine;3-tert-butyl-2,2,5-trimethylhexane;3-ethyl-2,2,4,4-tetramethylpentan-3-ol;3-(1-methoxyethyl)-2,2,4,4-tetramethylpentane;3-(methoxymethyl)-2,2,4,4-tetramethylpentane;1-methyl-3-(2,2,4,4-tetramethylpentan-3-yl)azetidine;2,2,3,4,4-pentamethylpentan-3-ol;2,2,4,4-tetramethylpentan-3-ylcyclobutane;2,2,4,4-tetramethyl-3-(trifluoromethyl)pentane
PubChem CID158527310
Molecular FormulaC284H594F6N10O9
Molecular Weight4407.92 g/mol
Exact Mass4404.62
IUPAC Name2-tert-butyl-3,3-dimethylbutan-1-amine;2-tert-butyl-3,3-dimethylbutanoic acid;1-(2-tert-butyl-3,3-dimethylbutyl)azetidine;(2-tert-butyl-3,3-dimethylbutyl)cyclopropane;4-(2-tert-butyl-3,3-dimethylbutyl)morpholine;1-(2-tert-butyl-3,3-dimethylbutyl)piperidine;1-(2-tert-butyl-3,3-dimethylbutyl)pyrrolidine;3-tert-butyl-2,2-dimethylhexane;4-tert-butyl-5,5-dimethylhex-1-ene;3-tert-butyl-4,4-dimethylpentanenitrile;3-tert-butyl-4,4-dimethylpentan-2-ol;3-tert-butyl-4,4-dimethylpent-1-ene;2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine;3-tert-butyl-1,1,1-trifluoro-4,4-dimethylpentane;2-tert-butyl-N,3,3-trimethylbutanamide;2-tert-butyl-N,3,3-trimethylbutan-1-amine;3-tert-butyl-2,2,5-trimethylhexane;3-ethyl-2,2,4,4-tetramethylpentan-3-ol;3-(1-methoxyethyl)-2,2,4,4-tetramethylpentane;3-(methoxymethyl)-2,2,4,4-tetramethylpentane;1-methyl-3-(2,2,4,4-tetramethylpentan-3-yl)azetidine;2,2,3,4,4-pentamethylpentan-3-ol;2,2,4,4-tetramethylpentan-3-ylcyclobutane;2,2,4,4-tetramethyl-3-(trifluoromethyl)pentane
SMILESC=CC(C(C)(C)C)C(C)(C)C.C=CCC(C(C)(C)C)C(C)(C)C.CC(C)(C)C(C(=O)O)C(C)(C)C.CC(C)(C)C(C(C)(C)C)C(F)(F)F.CC(C)(C)C(C)(O)C(C)(C)C.CC(C)(C)C(C1CCC1)C(C)(C)C.CC(C)(C)C(CC#N)C(C)(C)C.CC(C)(C)C(CC(F)(F)F)C(C)(C)C.CC(C)(C)C(CC1CC1)C(C)(C)C.CC(C)(C)C(CN)C(C)(C)C.CC(C)(C)C(CN1CCC1)C(C)(C)C.CC(C)(C)C(CN1CCCC1)C(C)(C)C.CC(C)(C)C(CN1CCCCC1)C(C)(C)C.CC(C)(C)C(CN1CCOCC1)C(C)(C)C.CC(C)CC(C(C)(C)C)C(C)(C)C.CC(O)C(C(C)(C)C)C(C)(C)C.CCC(O)(C(C)(C)C)C(C)(C)C.CCCC(C(C)(C)C)C(C)(C)C.CN(C)CC(C(C)(C)C)C(C)(C)C.CN1CC(C(C(C)(C)C)C(C)(C)C)C1.CNC(=O)C(C(C)(C)C)C(C)(C)C.CNCC(C(C)(C)C)C(C)(C)C.COC(C)C(C(C)(C)C)C(C)(C)C.COCC(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31N.C14H29NO.C14H29N.2C13H27N.2C13H26.C13H28.C12H27N.C12H26O.C12H26.C12H24.C11H21F3.C11H23NO.C11H25N.C11H21N.3C11H24O.C11H22.C10H19F3.C10H23N.C10H20O2.C10H22O/c1-14(2,3)13(15(4,5)6)12-16-10-8-7-9-11-16;1-13(2,3)12(14(4,5)6)11-15-7-9-16-10-8-15;1-13(2,3)12(14(4,5)6)11-15-9-7-8-10-15;1-12(2,3)11(13(4,5)6)10-8-14(7)9-10;1-12(2,3)11(13(4,5)6)10-14-8-7-9-14;1-12(2,3)11(13(4,5)6)9-10-7-8-10;1-12(2,3)11(13(4,5)6)10-8-7-9-10;1-10(2)9-11(12(3,4)5)13(6,7)8;1-11(2,3)10(9-13(7)8)12(4,5)6;1-9(13-8)10(11(2,3)4)12(5,6)7;2*1-8-9-10(11(2,3)4)12(5,6)7;1-9(2,3)8(10(4,5)6)7-11(12,13)14;1-10(2,3)8(9(13)12-7)11(4,5)6;1-10(2,3)9(8-12-7)11(4,5)6;1-10(2,3)9(7-8-12)11(4,5)6;1-10(2,3)9(8-12-7)11(4,5)6;1-8(12)9(10(2,3)4)11(5,6)7;1-8-11(12,9(2,3)4)10(5,6)7;1-8-9(10(2,3)4)11(5,6)7;1-8(2,3)7(9(4,5)6)10(11,12)13;1-9(2,3)8(7-11)10(4,5)6;1-9(2,3)7(8(11)12)10(4,5)6;1-8(2,3)10(7,11)9(4,5)6/h13H,7-12H2,1-6H3;12H,7-11H2,1-6H3;12H,7-11H2,1-6H3;10-11H,8-9H2,1-7H3;11H,7-10H2,1-6H3;2*10-11H,7-9H2,1-6H3;10-11H,9H2,1-8H3;10H,9H2,1-8H3;9-10H,1-8H3;10H,8-9H2,1-7H3;8,10H,1,9H2,2-7H3;8H,7H2,1-6H3;8H,1-7H3,(H,12,13);9,12H,8H2,1-7H3;9H,7H2,1-6H3;9H,8H2,1-7H3;8-9,12H,1-7H3;12H,8H2,1-7H3;8-9H,1H2,2-7H3;7H,1-6H3;8H,7,11H2,1-6H3;7H,1-6H3,(H,11,12);11H,1-7H3
InChIKeyHMYCMULNHVXFCW-UHFFFAOYSA-N
XLogP87.27
TPSA236.06 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds34
Heavy Atoms309
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004407.92
LogP ≤ 587.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Analyze 2-tert-butyl-3,3-dimethylbutan-1-amine;2-tert-butyl-3,3-dimethylbutanoic acid;1-(2-tert-butyl-3,3-dimethylbutyl)azetidine;(2-tert-butyl-3,3-dimethylbutyl)cyclopropane;4-(2-tert-butyl-3,3-dimethylbutyl)morpholine;1-(2-tert-butyl-3,3-dimethylbutyl)piperidine;1-(2-tert-butyl-3,3-dimethylbutyl)pyrrolidine;3-tert-butyl-2,2-dimethylhexane;4-tert-butyl-5,5-dimethylhex-1-ene;3-tert-butyl-4,4-dimethylpentanenitrile;3-tert-butyl-4,4-dimethylpentan-2-ol;3-tert-butyl-4,4-dimethylpent-1-ene;2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine;3-tert-butyl-1,1,1-trifluoro-4,4-dimethylpentane;2-tert-butyl-N,3,3-trimethylbutanamide;2-tert-butyl-N,3,3-trimethylbutan-1-amine;3-tert-butyl-2,2,5-trimethylhexane;3-ethyl-2,2,4,4-tetramethylpentan-3-ol;3-(1-methoxyethyl)-2,2,4,4-tetramethylpentane;3-(methoxymethyl)-2,2,4,4-tetramethylpentane;1-methyl-3-(2,2,4,4-tetramethylpentan-3-yl)azetidine;2,2,3,4,4-pentamethylpentan-3-ol;2,2,4,4-tetramethylpentan-3-ylcyclobutane;2,2,4,4-tetramethyl-3-(trifluoromethyl)pentane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,3-dimethylbutan-1-amine;2-tert-butyl-3,3-dimethylbutanoic acid;1-(2-tert-butyl-3,3-dimethylbutyl)azetidine;(2-tert-butyl-3,3-dimethylbutyl)cyclopropane;4-(2-tert-butyl-3,3-dimethylbutyl)morpholine;1-(2-tert-butyl-3,3-dimethylbutyl)piperidine;1-(2-tert-butyl-3,3-dimethylbutyl)pyrrolidine;3-tert-butyl-2,2-dimethylhexane;4-tert-butyl-5,5-dimethylhex-1-ene;3-tert-butyl-4,4-dimethylpentanenitrile;3-tert-butyl-4,4-dimethylpentan-2-ol;3-tert-butyl-4,4-dimethylpent-1-ene;2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine;3-tert-butyl-1,1,1-trifluoro-4,4-dimethylpentane;2-tert-butyl-N,3,3-trimethylbutanamide;2-tert-butyl-N,3,3-trimethylbutan-1-amine;3-tert-butyl-2,2,5-trimethylhexane;3-ethyl-2,2,4,4-tetramethylpentan-3-ol;3-(1-methoxyethyl)-2,2,4,4-tetramethylpentane;3-(methoxymethyl)-2,2,4,4-tetramethylpentane;1-methyl-3-(2,2,4,4-tetramethylpentan-3-yl)azetidine;2,2,3,4,4-pentamethylpentan-3-ol;2,2,4,4-tetramethylpentan-3-ylcyclobutane;2,2,4,4-tetramethyl-3-(trifluoromethyl)pentane?
The IUPAC name of 2-tert-butyl-3,3-dimethylbutan-1-amine;2-tert-butyl-3,3-dimethylbutanoic acid;1-(2-tert-butyl-3,3-dimethylbutyl)azetidine;(2-tert-butyl-3,3-dimethylbutyl)cyclopropane;4-(2-tert-butyl-3,3-dimethylbutyl)morpholine;1-(2-tert-butyl-3,3-dimethylbutyl)piperidine;1-(2-tert-butyl-3,3-dimethylbutyl)pyrrolidine;3-tert-butyl-2,2-dimethylhexane;4-tert-butyl-5,5-dimethylhex-1-ene;3-tert-butyl-4,4-dimethylpentanenitrile;3-tert-butyl-4,4-dimethylpentan-2-ol;3-tert-butyl-4,4-dimethylpent-1-ene;2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine;3-tert-butyl-1,1,1-trifluoro-4,4-dimethylpentane;2-tert-butyl-N,3,3-trimethylbutanamide;2-tert-butyl-N,3,3-trimethylbutan-1-amine;3-tert-butyl-2,2,5-trimethylhexane;3-ethyl-2,2,4,4-tetramethylpentan-3-ol;3-(1-methoxyethyl)-2,2,4,4-tetramethylpentane;3-(methoxymethyl)-2,2,4,4-tetramethylpentane;1-methyl-3-(2,2,4,4-tetramethylpentan-3-yl)azetidine;2,2,3,4,4-pentamethylpentan-3-ol;2,2,4,4-tetramethylpentan-3-ylcyclobutane;2,2,4,4-tetramethyl-3-(trifluoromethyl)pentane (CID 158527310) is 2-tert-butyl-3,3-dimethylbutan-1-amine;2-tert-butyl-3,3-dimethylbutanoic acid;1-(2-tert-butyl-3,3-dimethylbutyl)azetidine;(2-tert-butyl-3,3-dimethylbutyl)cyclopropane;4-(2-tert-butyl-3,3-dimethylbutyl)morpholine;1-(2-tert-butyl-3,3-dimethylbutyl)piperidine;1-(2-tert-butyl-3,3-dimethylbutyl)pyrrolidine;3-tert-butyl-2,2-dimethylhexane;4-tert-butyl-5,5-dimethylhex-1-ene;3-tert-butyl-4,4-dimethylpentanenitrile;3-tert-butyl-4,4-dimethylpentan-2-ol;3-tert-butyl-4,4-dimethylpent-1-ene;2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine;3-tert-butyl-1,1,1-trifluoro-4,4-dimethylpentane;2-tert-butyl-N,3,3-trimethylbutanamide;2-tert-butyl-N,3,3-trimethylbutan-1-amine;3-tert-butyl-2,2,5-trimethylhexane;3-ethyl-2,2,4,4-tetramethylpentan-3-ol;3-(1-methoxyethyl)-2,2,4,4-tetramethylpentane;3-(methoxymethyl)-2,2,4,4-tetramethylpentane;1-methyl-3-(2,2,4,4-tetramethylpentan-3-yl)azetidine;2,2,3,4,4-pentamethylpentan-3-ol;2,2,4,4-tetramethylpentan-3-ylcyclobutane;2,2,4,4-tetramethyl-3-(trifluoromethyl)pentane.
What is the SMILES notation for 2-tert-butyl-3,3-dimethylbutan-1-amine;2-tert-butyl-3,3-dimethylbutanoic acid;1-(2-tert-butyl-3,3-dimethylbutyl)azetidine;(2-tert-butyl-3,3-dimethylbutyl)cyclopropane;4-(2-tert-butyl-3,3-dimethylbutyl)morpholine;1-(2-tert-butyl-3,3-dimethylbutyl)piperidine;1-(2-tert-butyl-3,3-dimethylbutyl)pyrrolidine;3-tert-butyl-2,2-dimethylhexane;4-tert-butyl-5,5-dimethylhex-1-ene;3-tert-butyl-4,4-dimethylpentanenitrile;3-tert-butyl-4,4-dimethylpentan-2-ol;3-tert-butyl-4,4-dimethylpent-1-ene;2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine;3-tert-butyl-1,1,1-trifluoro-4,4-dimethylpentane;2-tert-butyl-N,3,3-trimethylbutanamide;2-tert-butyl-N,3,3-trimethylbutan-1-amine;3-tert-butyl-2,2,5-trimethylhexane;3-ethyl-2,2,4,4-tetramethylpentan-3-ol;3-(1-methoxyethyl)-2,2,4,4-tetramethylpentane;3-(methoxymethyl)-2,2,4,4-tetramethylpentane;1-methyl-3-(2,2,4,4-tetramethylpentan-3-yl)azetidine;2,2,3,4,4-pentamethylpentan-3-ol;2,2,4,4-tetramethylpentan-3-ylcyclobutane;2,2,4,4-tetramethyl-3-(trifluoromethyl)pentane?
The canonical SMILES for 2-tert-butyl-3,3-dimethylbutan-1-amine;2-tert-butyl-3,3-dimethylbutanoic acid;1-(2-tert-butyl-3,3-dimethylbutyl)azetidine;(2-tert-butyl-3,3-dimethylbutyl)cyclopropane;4-(2-tert-butyl-3,3-dimethylbutyl)morpholine;1-(2-tert-butyl-3,3-dimethylbutyl)piperidine;1-(2-tert-butyl-3,3-dimethylbutyl)pyrrolidine;3-tert-butyl-2,2-dimethylhexane;4-tert-butyl-5,5-dimethylhex-1-ene;3-tert-butyl-4,4-dimethylpentanenitrile;3-tert-butyl-4,4-dimethylpentan-2-ol;3-tert-butyl-4,4-dimethylpent-1-ene;2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine;3-tert-butyl-1,1,1-trifluoro-4,4-dimethylpentane;2-tert-butyl-N,3,3-trimethylbutanamide;2-tert-butyl-N,3,3-trimethylbutan-1-amine;3-tert-butyl-2,2,5-trimethylhexane;3-ethyl-2,2,4,4-tetramethylpentan-3-ol;3-(1-methoxyethyl)-2,2,4,4-tetramethylpentane;3-(methoxymethyl)-2,2,4,4-tetramethylpentane;1-methyl-3-(2,2,4,4-tetramethylpentan-3-yl)azetidine;2,2,3,4,4-pentamethylpentan-3-ol;2,2,4,4-tetramethylpentan-3-ylcyclobutane;2,2,4,4-tetramethyl-3-(trifluoromethyl)pentane is C=CC(C(C)(C)C)C(C)(C)C.C=CCC(C(C)(C)C)C(C)(C)C.CC(C)(C)C(C(=O)O)C(C)(C)C.CC(C)(C)C(C(C)(C)C)C(F)(F)F.CC(C)(C)C(C)(O)C(C)(C)C.CC(C)(C)C(C1CCC1)C(C)(C)C.CC(C)(C)C(CC#N)C(C)(C)C.CC(C)(C)C(CC(F)(F)F)C(C)(C)C.CC(C)(C)C(CC1CC1)C(C)(C)C.CC(C)(C)C(CN)C(C)(C)C.CC(C)(C)C(CN1CCC1)C(C)(C)C.CC(C)(C)C(CN1CCCC1)C(C)(C)C.CC(C)(C)C(CN1CCCCC1)C(C)(C)C.CC(C)(C)C(CN1CCOCC1)C(C)(C)C.CC(C)CC(C(C)(C)C)C(C)(C)C.CC(O)C(C(C)(C)C)C(C)(C)C.CCC(O)(C(C)(C)C)C(C)(C)C.CCCC(C(C)(C)C)C(C)(C)C.CN(C)CC(C(C)(C)C)C(C)(C)C.CN1CC(C(C(C)(C)C)C(C)(C)C)C1.CNC(=O)C(C(C)(C)C)C(C)(C)C.CNCC(C(C)(C)C)C(C)(C)C.COC(C)C(C(C)(C)C)C(C)(C)C.COCC(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3,3-dimethylbutan-1-amine;2-tert-butyl-3,3-dimethylbutanoic acid;1-(2-tert-butyl-3,3-dimethylbutyl)azetidine;(2-tert-butyl-3,3-dimethylbutyl)cyclopropane;4-(2-tert-butyl-3,3-dimethylbutyl)morpholine;1-(2-tert-butyl-3,3-dimethylbutyl)piperidine;1-(2-tert-butyl-3,3-dimethylbutyl)pyrrolidine;3-tert-butyl-2,2-dimethylhexane;4-tert-butyl-5,5-dimethylhex-1-ene;3-tert-butyl-4,4-dimethylpentanenitrile;3-tert-butyl-4,4-dimethylpentan-2-ol;3-tert-butyl-4,4-dimethylpent-1-ene;2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine;3-tert-butyl-1,1,1-trifluoro-4,4-dimethylpentane;2-tert-butyl-N,3,3-trimethylbutanamide;2-tert-butyl-N,3,3-trimethylbutan-1-amine;3-tert-butyl-2,2,5-trimethylhexane;3-ethyl-2,2,4,4-tetramethylpentan-3-ol;3-(1-methoxyethyl)-2,2,4,4-tetramethylpentane;3-(methoxymethyl)-2,2,4,4-tetramethylpentane;1-methyl-3-(2,2,4,4-tetramethylpentan-3-yl)azetidine;2,2,3,4,4-pentamethylpentan-3-ol;2,2,4,4-tetramethylpentan-3-ylcyclobutane;2,2,4,4-tetramethyl-3-(trifluoromethyl)pentane?
The InChIKey is HMYCMULNHVXFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N.C14H29NO.C14H29N.2C13H27N.2C13H26.C13H28.C12H27N.C12H26O.C12H26.C12H24.C11H21F3.C11H23NO.C11H25N.C11H21N.3C11H24O.C11H22.C10H19F3.C10H23N.C10H20O2.C10H22O/c1-14(2,3)13(15(4,5)6)12-16-10-8-7-9-11-16;1-13(2,3)12(14(4,5)6)11-15-7-9-16-10-8-15;1-13(2,3)12(14(4,5)6)11-15-9-7-8-10-15;1-12(2,3)11(13(4,5)6)10-8-14(7)9-10;1-12(2,3)11(13(4,5)6)10-14-8-7-9-14;1-12(2,3)11(13(4,5)6)9-10-7-8-10;1-12(2,3)11(13(4,5)6)10-8-7-9-10;1-10(2)9-11(12(3,4)5)13(6,7)8;1-11(2,3)10(9-13(7)8)12(4,5)6;1-9(13-8)10(11(2,3)4)12(5,6)7;2*1-8-9-10(11(2,3)4)12(5,6)7;1-9(2,3)8(10(4,5)6)7-11(12,13)14;1-10(2,3)8(9(13)12-7)11(4,5)6;1-10(2,3)9(8-12-7)11(4,5)6;1-10(2,3)9(7-8-12)11(4,5)6;1-10(2,3)9(8-12-7)11(4,5)6;1-8(12)9(10(2,3)4)11(5,6)7;1-8-11(12,9(2,3)4)10(5,6)7;1-8-9(10(2,3)4)11(5,6)7;1-8(2,3)7(9(4,5)6)10(11,12)13;1-9(2,3)8(7-11)10(4,5)6;1-9(2,3)7(8(11)12)10(4,5)6;1-8(2,3)10(7,11)9(4,5)6/h13H,7-12H2,1-6H3;12H,7-11H2,1-6H3;12H,7-11H2,1-6H3;10-11H,8-9H2,1-7H3;11H,7-10H2,1-6H3;2*10-11H,7-9H2,1-6H3;10-11H,9H2,1-8H3;10H,9H2,1-8H3;9-10H,1-8H3;10H,8-9H2,1-7H3;8,10H,1,9H2,2-7H3;8H,7H2,1-6H3;8H,1-7H3,(H,12,13);9,12H,8H2,1-7H3;9H,7H2,1-6H3;9H,8H2,1-7H3;8-9,12H,1-7H3;12H,8H2,1-7H3;8-9H,1H2,2-7H3;7H,1-6H3;8H,7,11H2,1-6H3;7H,1-6H3,(H,11,12);11H,1-7H3.
What are the key properties of 2-tert-butyl-3,3-dimethylbutan-1-amine;2-tert-butyl-3,3-dimethylbutanoic acid;1-(2-tert-butyl-3,3-dimethylbutyl)azetidine;(2-tert-butyl-3,3-dimethylbutyl)cyclopropane;4-(2-tert-butyl-3,3-dimethylbutyl)morpholine;1-(2-tert-butyl-3,3-dimethylbutyl)piperidine;1-(2-tert-butyl-3,3-dimethylbutyl)pyrrolidine;3-tert-butyl-2,2-dimethylhexane;4-tert-butyl-5,5-dimethylhex-1-ene;3-tert-butyl-4,4-dimethylpentanenitrile;3-tert-butyl-4,4-dimethylpentan-2-ol;3-tert-butyl-4,4-dimethylpent-1-ene;2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine;3-tert-butyl-1,1,1-trifluoro-4,4-dimethylpentane;2-tert-butyl-N,3,3-trimethylbutanamide;2-tert-butyl-N,3,3-trimethylbutan-1-amine;3-tert-butyl-2,2,5-trimethylhexane;3-ethyl-2,2,4,4-tetramethylpentan-3-ol;3-(1-methoxyethyl)-2,2,4,4-tetramethylpentane;3-(methoxymethyl)-2,2,4,4-tetramethylpentane;1-methyl-3-(2,2,4,4-tetramethylpentan-3-yl)azetidine;2,2,3,4,4-pentamethylpentan-3-ol;2,2,4,4-tetramethylpentan-3-ylcyclobutane;2,2,4,4-tetramethyl-3-(trifluoromethyl)pentane?
2-tert-butyl-3,3-dimethylbutan-1-amine;2-tert-butyl-3,3-dimethylbutanoic acid;1-(2-tert-butyl-3,3-dimethylbutyl)azetidine;(2-tert-butyl-3,3-dimethylbutyl)cyclopropane;4-(2-tert-butyl-3,3-dimethylbutyl)morpholine;1-(2-tert-butyl-3,3-dimethylbutyl)piperidine;1-(2-tert-butyl-3,3-dimethylbutyl)pyrrolidine;3-tert-butyl-2,2-dimethylhexane;4-tert-butyl-5,5-dimethylhex-1-ene;3-tert-butyl-4,4-dimethylpentanenitrile;3-tert-butyl-4,4-dimethylpentan-2-ol;3-tert-butyl-4,4-dimethylpent-1-ene;2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine;3-tert-butyl-1,1,1-trifluoro-4,4-dimethylpentane;2-tert-butyl-N,3,3-trimethylbutanamide;2-tert-butyl-N,3,3-trimethylbutan-1-amine;3-tert-butyl-2,2,5-trimethylhexane;3-ethyl-2,2,4,4-tetramethylpentan-3-ol;3-(1-methoxyethyl)-2,2,4,4-tetramethylpentane;3-(methoxymethyl)-2,2,4,4-tetramethylpentane;1-methyl-3-(2,2,4,4-tetramethylpentan-3-yl)azetidine;2,2,3,4,4-pentamethylpentan-3-ol;2,2,4,4-tetramethylpentan-3-ylcyclobutane;2,2,4,4-tetramethyl-3-(trifluoromethyl)pentane has a molecular weight of 4407.92 g/mol, XLogP of 87.27, 34 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,3-dimethylbutan-1-amine;2-tert-butyl-3,3-dimethylbutanoic acid;1-(2-tert-butyl-3,3-dimethylbutyl)azetidine;(2-tert-butyl-3,3-dimethylbutyl)cyclopropane;4-(2-tert-butyl-3,3-dimethylbutyl)morpholine;1-(2-tert-butyl-3,3-dimethylbutyl)piperidine;1-(2-tert-butyl-3,3-dimethylbutyl)pyrrolidine;3-tert-butyl-2,2-dimethylhexane;4-tert-butyl-5,5-dimethylhex-1-ene;3-tert-butyl-4,4-dimethylpentanenitrile;3-tert-butyl-4,4-dimethylpentan-2-ol;3-tert-butyl-4,4-dimethylpent-1-ene;2-tert-butyl-N,N,3,3-tetramethylbutan-1-amine;3-tert-butyl-1,1,1-trifluoro-4,4-dimethylpentane;2-tert-butyl-N,3,3-trimethylbutanamide;2-tert-butyl-N,3,3-trimethylbutan-1-amine;3-tert-butyl-2,2,5-trimethylhexane;3-ethyl-2,2,4,4-tetramethylpentan-3-ol;3-(1-methoxyethyl)-2,2,4,4-tetramethylpentane;3-(methoxymethyl)-2,2,4,4-tetramethylpentane;1-methyl-3-(2,2,4,4-tetramethylpentan-3-yl)azetidine;2,2,3,4,4-pentamethylpentan-3-ol;2,2,4,4-tetramethylpentan-3-ylcyclobutane;2,2,4,4-tetramethyl-3-(trifluoromethyl)pentane is sourced from PubChem (CID 158527310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).