tert-butylbenzene;N-tert-butyl-N-(2-hydroxyethyl)methanesulfonamide;1-tert-butyl-4-methylbenzene;N-tert-butyl-N-(2-morpholin-4-ylethyl)methanesulfonamide;methane;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;2-methyl-1-methylsulfonylpropane;2-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-phenyl-N-propan-2-ylmethanesulfonamide;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-methyl-N-propan-2-ylbenzenesulfonamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methylpropylsulfonylbenzene;2-methylpropylsulfonylmethylbenzene;N-(2-piperidin-1-ylethyl)propan-2-amine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N-(2-pyrrolidin-1-ylethyl)propan-2-amine

C159H312N20O21S9 — CID 161356832

IUPACtert-butylbenzene;N-tert-butyl-N-(2-hydroxyethyl)methanesulfonamide;1-tert-butyl-4-methylbenzene;N-tert-butyl-N-(2-morpholin-4-ylethyl)methanesulfonamide;methane;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;2-methyl-1-methylsulfonylpropane;2-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-phenyl-N-propan-2-ylmethanesulfonamide;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-methyl-N-propan-2-ylbenzenesulfonamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methylpropylsulfonylbenzene;2-methylpropylsulfonylmethylbenzene;N-(2-piperidin-1-ylethyl)propan-2-amine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N-(2-pyrrolidin-1-ylethyl)propan-2-amine
SMILESC.C.CC(C)(C)N(CCN1CCOCC1)S(C)(=O)=O.CC(C)(C)N(CCO)S(C)(=O)=O.CC(C)(C)NCC1CCOCC1.CC(C)(C)c1ccccc1.CC(C)CS(=O)(=O)Cc1ccccc1.CC(C)CS(=O)(=O)c1ccccc1.CC(C)CS(C)(=O)=O.CC(C)N(C)S(=O)(=O)Cc1ccccc1.CC(C)N(C)S(=O)(=O)c1ccccc1.CC(C)N(C)S(C)(=O)=O.CC(C)N1CCCS1(=O)=O.CC(C)NCCN1CCCC1.CC(C)NCCN1CCCCC1.CC(C)NCCN1CCN(C)CC1.CC(C)NCCN1CCN(C)CC1.CN1CCC(CNC(C)(C)C)CC1.Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C11H24N2O3S.C11H24N2.C11H17NO2S.C11H16O2S.C11H16.2C10H23N3.C10H22N2.C10H15NO2S.C10H21NO.C10H14O2S.C10H14.C9H20N2.C7H17NO3S.C6H13NO2S.C5H13NO2S.C5H12O2S.2CH4/c1-11(2,3)13(17(4,14)15)6-5-12-7-9-16-10-8-12;1-11(2,3)12-9-10-5-7-13(4)8-6-10;1-10(2)12(3)15(13,14)9-11-7-5-4-6-8-11;1-10(2)8-14(12,13)9-11-6-4-3-5-7-11;1-9-5-7-10(8-6-9)11(2,3)4;2*1-10(2)11-4-5-13-8-6-12(3)7-9-13;1-10(2)11-6-9-12-7-4-3-5-8-12;1-9(2)11(3)14(12,13)10-7-5-4-6-8-10;1-10(2,3)11-8-9-4-6-12-7-5-9;1-9(2)8-13(11,12)10-6-4-3-5-7-10;1-10(2,3)9-7-5-4-6-8-9;1-9(2)10-5-8-11-6-3-4-7-11;1-7(2,3)8(5-6-9)12(4,10)11;1-6(2)7-4-3-5-10(7,8)9;1-5(2)6(3)9(4,7)8;1-5(2)4-8(3,6)7;;/h5-10H2,1-4H3;10,12H,5-9H2,1-4H3;4-8,10H,9H2,1-3H3;3-7,10H,8-9H2,1-2H3;5-8H,1-4H3;2*10-11H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;4-9H,1-3H3;9,11H,4-8H2,1-3H3;3-7,9H,8H2,1-2H3;4-8H,1-3H3;9-10H,3-8H2,1-2H3;9H,5-6H2,1-4H3;6H,3-5H2,1-2H3;5H,1-4H3;5H,4H2,1-3H3;2*1H4
InChIKeyVOQRRFFSYKGNJN-UHFFFAOYSA-N
MW3128.97 g/mol
LogP23.85
Rot. Bonds46

About tert-butylbenzene;N-tert-butyl-N-(2-hydroxyethyl)methanesulfonamide;1-tert-butyl-4-methylbenzene;N-tert-butyl-N-(2-morpholin-4-ylethyl)methanesulfonamide;methane;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;2-methyl-1-methylsulfonylpropane;2-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-phenyl-N-propan-2-ylmethanesulfonamide;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-methyl-N-propan-2-ylbenzenesulfonamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methylpropylsulfonylbenzene;2-methylpropylsulfonylmethylbenzene;N-(2-piperidin-1-ylethyl)propan-2-amine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N-(2-pyrrolidin-1-ylethyl)propan-2-amine

tert-butylbenzene;N-tert-butyl-N-(2-hydroxyethyl)methanesulfonamide;1-tert-butyl-4-methylbenzene;N-tert-butyl-N-(2-morpholin-4-ylethyl)methanesulfonamide;methane;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;2-methyl-1-methylsulfonylpropane;2-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-phenyl-N-propan-2-ylmethanesulfonamide;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-methyl-N-propan-2-ylbenzenesulfonamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methylpropylsulfonylbenzene;2-methylpropylsulfonylmethylbenzene;N-(2-piperidin-1-ylethyl)propan-2-amine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N-(2-pyrrolidin-1-ylethyl)propan-2-amine (PubChem CID 161356832) has the molecular formula C159H312N20O21S9 and a molecular weight of 3128.97 g/mol. Its IUPAC name is tert-butylbenzene;N-tert-butyl-N-(2-hydroxyethyl)methanesulfonamide;1-tert-butyl-4-methylbenzene;N-tert-butyl-N-(2-morpholin-4-ylethyl)methanesulfonamide;methane;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;2-methyl-1-methylsulfonylpropane;2-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-phenyl-N-propan-2-ylmethanesulfonamide;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-methyl-N-propan-2-ylbenzenesulfonamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methylpropylsulfonylbenzene;2-methylpropylsulfonylmethylbenzene;N-(2-piperidin-1-ylethyl)propan-2-amine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N-(2-pyrrolidin-1-ylethyl)propan-2-amine.

Molecular Properties

Compound Nametert-butylbenzene;N-tert-butyl-N-(2-hydroxyethyl)methanesulfonamide;1-tert-butyl-4-methylbenzene;N-tert-butyl-N-(2-morpholin-4-ylethyl)methanesulfonamide;methane;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;2-methyl-1-methylsulfonylpropane;2-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-phenyl-N-propan-2-ylmethanesulfonamide;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-methyl-N-propan-2-ylbenzenesulfonamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methylpropylsulfonylbenzene;2-methylpropylsulfonylmethylbenzene;N-(2-piperidin-1-ylethyl)propan-2-amine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N-(2-pyrrolidin-1-ylethyl)propan-2-amine
PubChem CID161356832
Molecular FormulaC159H312N20O21S9
Molecular Weight3128.97 g/mol
Exact Mass3126.14
IUPAC Nametert-butylbenzene;N-tert-butyl-N-(2-hydroxyethyl)methanesulfonamide;1-tert-butyl-4-methylbenzene;N-tert-butyl-N-(2-morpholin-4-ylethyl)methanesulfonamide;methane;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;2-methyl-1-methylsulfonylpropane;2-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-phenyl-N-propan-2-ylmethanesulfonamide;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-methyl-N-propan-2-ylbenzenesulfonamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methylpropylsulfonylbenzene;2-methylpropylsulfonylmethylbenzene;N-(2-piperidin-1-ylethyl)propan-2-amine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N-(2-pyrrolidin-1-ylethyl)propan-2-amine
SMILESC.C.CC(C)(C)N(CCN1CCOCC1)S(C)(=O)=O.CC(C)(C)N(CCO)S(C)(=O)=O.CC(C)(C)NCC1CCOCC1.CC(C)(C)c1ccccc1.CC(C)CS(=O)(=O)Cc1ccccc1.CC(C)CS(=O)(=O)c1ccccc1.CC(C)CS(C)(=O)=O.CC(C)N(C)S(=O)(=O)Cc1ccccc1.CC(C)N(C)S(=O)(=O)c1ccccc1.CC(C)N(C)S(C)(=O)=O.CC(C)N1CCCS1(=O)=O.CC(C)NCCN1CCCC1.CC(C)NCCN1CCCCC1.CC(C)NCCN1CCN(C)CC1.CC(C)NCCN1CCN(C)CC1.CN1CCC(CNC(C)(C)C)CC1.Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C11H24N2O3S.C11H24N2.C11H17NO2S.C11H16O2S.C11H16.2C10H23N3.C10H22N2.C10H15NO2S.C10H21NO.C10H14O2S.C10H14.C9H20N2.C7H17NO3S.C6H13NO2S.C5H13NO2S.C5H12O2S.2CH4/c1-11(2,3)13(17(4,14)15)6-5-12-7-9-16-10-8-12;1-11(2,3)12-9-10-5-7-13(4)8-6-10;1-10(2)12(3)15(13,14)9-11-7-5-4-6-8-11;1-10(2)8-14(12,13)9-11-6-4-3-5-7-11;1-9-5-7-10(8-6-9)11(2,3)4;2*1-10(2)11-4-5-13-8-6-12(3)7-9-13;1-10(2)11-6-9-12-7-4-3-5-8-12;1-9(2)11(3)14(12,13)10-7-5-4-6-8-10;1-10(2,3)11-8-9-4-6-12-7-5-9;1-9(2)8-13(11,12)10-6-4-3-5-7-10;1-10(2,3)9-7-5-4-6-8-9;1-9(2)10-5-8-11-6-3-4-7-11;1-7(2,3)8(5-6-9)12(4,10)11;1-6(2)7-4-3-5-10(7,8)9;1-5(2)6(3)9(4,7)8;1-5(2)4-8(3,6)7;;/h5-10H2,1-4H3;10,12H,5-9H2,1-4H3;4-8,10H,9H2,1-3H3;3-7,10H,8-9H2,1-2H3;5-8H,1-4H3;2*10-11H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;4-9H,1-3H3;9,11H,4-8H2,1-3H3;3-7,9H,8H2,1-2H3;4-8H,1-3H3;9-10H,3-8H2,1-2H3;9H,5-6H2,1-4H3;6H,3-5H2,1-2H3;5H,1-4H3;5H,4H2,1-3H3;2*1H4
InChIKeyVOQRRFFSYKGNJN-UHFFFAOYSA-N
XLogP23.85
TPSA463.49 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds46
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003128.97
LogP ≤ 523.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Analyze tert-butylbenzene;N-tert-butyl-N-(2-hydroxyethyl)methanesulfonamide;1-tert-butyl-4-methylbenzene;N-tert-butyl-N-(2-morpholin-4-ylethyl)methanesulfonamide;methane;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;2-methyl-1-methylsulfonylpropane;2-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-phenyl-N-propan-2-ylmethanesulfonamide;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-methyl-N-propan-2-ylbenzenesulfonamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methylpropylsulfonylbenzene;2-methylpropylsulfonylmethylbenzene;N-(2-piperidin-1-ylethyl)propan-2-amine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N-(2-pyrrolidin-1-ylethyl)propan-2-amine with MolForge

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Related Compounds

N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-1-phenylmethanesulfonamide
CID 90607497
oxolan-3-yl N-[(2S,3R)-1-(1-benzylpiperidin-4-yl)-3-hydroxy-4-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamate
CID 58853188
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591322
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide
CID 120595902
4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid
CID 56603480
N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-4-methylpiperazine;N-tert-butyl-3-methylpyridin-2-amine;1-tert-butylpiperidin-2-one;1-tert-butylpyrrolidine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;2,2-dimethylpropylbenzene;ethane;2-methyl-N,N-di(propan-2-yl)propan-2-amine;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxycyclohexane;2-methyl-2-propan-2-yloxypropane;4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylpiperidine;N,N,2-trimethylpropan-2-amine
CID 157151145
1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol
CID 134093965
3-methyl-2-[[4-(4-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(oxan-2-yloxy)butanamide
CID 18703621
4-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42695931
3-(4-benzylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016578
2-[benzylsulfonyl(2-morpholin-4-ylethyl)amino]-N-hydroxyacetamide
CID 57069387
2-methyl-N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593638

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;N-tert-butyl-N-(2-hydroxyethyl)methanesulfonamide;1-tert-butyl-4-methylbenzene;N-tert-butyl-N-(2-morpholin-4-ylethyl)methanesulfonamide;methane;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;2-methyl-1-methylsulfonylpropane;2-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-phenyl-N-propan-2-ylmethanesulfonamide;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-methyl-N-propan-2-ylbenzenesulfonamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methylpropylsulfonylbenzene;2-methylpropylsulfonylmethylbenzene;N-(2-piperidin-1-ylethyl)propan-2-amine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N-(2-pyrrolidin-1-ylethyl)propan-2-amine?
The IUPAC name of tert-butylbenzene;N-tert-butyl-N-(2-hydroxyethyl)methanesulfonamide;1-tert-butyl-4-methylbenzene;N-tert-butyl-N-(2-morpholin-4-ylethyl)methanesulfonamide;methane;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;2-methyl-1-methylsulfonylpropane;2-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-phenyl-N-propan-2-ylmethanesulfonamide;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-methyl-N-propan-2-ylbenzenesulfonamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methylpropylsulfonylbenzene;2-methylpropylsulfonylmethylbenzene;N-(2-piperidin-1-ylethyl)propan-2-amine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N-(2-pyrrolidin-1-ylethyl)propan-2-amine (CID 161356832) is tert-butylbenzene;N-tert-butyl-N-(2-hydroxyethyl)methanesulfonamide;1-tert-butyl-4-methylbenzene;N-tert-butyl-N-(2-morpholin-4-ylethyl)methanesulfonamide;methane;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;2-methyl-1-methylsulfonylpropane;2-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-phenyl-N-propan-2-ylmethanesulfonamide;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-methyl-N-propan-2-ylbenzenesulfonamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methylpropylsulfonylbenzene;2-methylpropylsulfonylmethylbenzene;N-(2-piperidin-1-ylethyl)propan-2-amine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N-(2-pyrrolidin-1-ylethyl)propan-2-amine.
What is the SMILES notation for tert-butylbenzene;N-tert-butyl-N-(2-hydroxyethyl)methanesulfonamide;1-tert-butyl-4-methylbenzene;N-tert-butyl-N-(2-morpholin-4-ylethyl)methanesulfonamide;methane;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;2-methyl-1-methylsulfonylpropane;2-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-phenyl-N-propan-2-ylmethanesulfonamide;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-methyl-N-propan-2-ylbenzenesulfonamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methylpropylsulfonylbenzene;2-methylpropylsulfonylmethylbenzene;N-(2-piperidin-1-ylethyl)propan-2-amine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N-(2-pyrrolidin-1-ylethyl)propan-2-amine?
The canonical SMILES for tert-butylbenzene;N-tert-butyl-N-(2-hydroxyethyl)methanesulfonamide;1-tert-butyl-4-methylbenzene;N-tert-butyl-N-(2-morpholin-4-ylethyl)methanesulfonamide;methane;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;2-methyl-1-methylsulfonylpropane;2-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-phenyl-N-propan-2-ylmethanesulfonamide;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-methyl-N-propan-2-ylbenzenesulfonamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methylpropylsulfonylbenzene;2-methylpropylsulfonylmethylbenzene;N-(2-piperidin-1-ylethyl)propan-2-amine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N-(2-pyrrolidin-1-ylethyl)propan-2-amine is C.C.CC(C)(C)N(CCN1CCOCC1)S(C)(=O)=O.CC(C)(C)N(CCO)S(C)(=O)=O.CC(C)(C)NCC1CCOCC1.CC(C)(C)c1ccccc1.CC(C)CS(=O)(=O)Cc1ccccc1.CC(C)CS(=O)(=O)c1ccccc1.CC(C)CS(C)(=O)=O.CC(C)N(C)S(=O)(=O)Cc1ccccc1.CC(C)N(C)S(=O)(=O)c1ccccc1.CC(C)N(C)S(C)(=O)=O.CC(C)N1CCCS1(=O)=O.CC(C)NCCN1CCCC1.CC(C)NCCN1CCCCC1.CC(C)NCCN1CCN(C)CC1.CC(C)NCCN1CCN(C)CC1.CN1CCC(CNC(C)(C)C)CC1.Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of tert-butylbenzene;N-tert-butyl-N-(2-hydroxyethyl)methanesulfonamide;1-tert-butyl-4-methylbenzene;N-tert-butyl-N-(2-morpholin-4-ylethyl)methanesulfonamide;methane;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;2-methyl-1-methylsulfonylpropane;2-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-phenyl-N-propan-2-ylmethanesulfonamide;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-methyl-N-propan-2-ylbenzenesulfonamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methylpropylsulfonylbenzene;2-methylpropylsulfonylmethylbenzene;N-(2-piperidin-1-ylethyl)propan-2-amine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N-(2-pyrrolidin-1-ylethyl)propan-2-amine?
The InChIKey is VOQRRFFSYKGNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S.C11H24N2.C11H17NO2S.C11H16O2S.C11H16.2C10H23N3.C10H22N2.C10H15NO2S.C10H21NO.C10H14O2S.C10H14.C9H20N2.C7H17NO3S.C6H13NO2S.C5H13NO2S.C5H12O2S.2CH4/c1-11(2,3)13(17(4,14)15)6-5-12-7-9-16-10-8-12;1-11(2,3)12-9-10-5-7-13(4)8-6-10;1-10(2)12(3)15(13,14)9-11-7-5-4-6-8-11;1-10(2)8-14(12,13)9-11-6-4-3-5-7-11;1-9-5-7-10(8-6-9)11(2,3)4;2*1-10(2)11-4-5-13-8-6-12(3)7-9-13;1-10(2)11-6-9-12-7-4-3-5-8-12;1-9(2)11(3)14(12,13)10-7-5-4-6-8-10;1-10(2,3)11-8-9-4-6-12-7-5-9;1-9(2)8-13(11,12)10-6-4-3-5-7-10;1-10(2,3)9-7-5-4-6-8-9;1-9(2)10-5-8-11-6-3-4-7-11;1-7(2,3)8(5-6-9)12(4,10)11;1-6(2)7-4-3-5-10(7,8)9;1-5(2)6(3)9(4,7)8;1-5(2)4-8(3,6)7;;/h5-10H2,1-4H3;10,12H,5-9H2,1-4H3;4-8,10H,9H2,1-3H3;3-7,10H,8-9H2,1-2H3;5-8H,1-4H3;2*10-11H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;4-9H,1-3H3;9,11H,4-8H2,1-3H3;3-7,9H,8H2,1-2H3;4-8H,1-3H3;9-10H,3-8H2,1-2H3;9H,5-6H2,1-4H3;6H,3-5H2,1-2H3;5H,1-4H3;5H,4H2,1-3H3;2*1H4.
What are the key properties of tert-butylbenzene;N-tert-butyl-N-(2-hydroxyethyl)methanesulfonamide;1-tert-butyl-4-methylbenzene;N-tert-butyl-N-(2-morpholin-4-ylethyl)methanesulfonamide;methane;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;2-methyl-1-methylsulfonylpropane;2-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-phenyl-N-propan-2-ylmethanesulfonamide;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-methyl-N-propan-2-ylbenzenesulfonamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methylpropylsulfonylbenzene;2-methylpropylsulfonylmethylbenzene;N-(2-piperidin-1-ylethyl)propan-2-amine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N-(2-pyrrolidin-1-ylethyl)propan-2-amine?
tert-butylbenzene;N-tert-butyl-N-(2-hydroxyethyl)methanesulfonamide;1-tert-butyl-4-methylbenzene;N-tert-butyl-N-(2-morpholin-4-ylethyl)methanesulfonamide;methane;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;2-methyl-1-methylsulfonylpropane;2-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-phenyl-N-propan-2-ylmethanesulfonamide;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-methyl-N-propan-2-ylbenzenesulfonamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methylpropylsulfonylbenzene;2-methylpropylsulfonylmethylbenzene;N-(2-piperidin-1-ylethyl)propan-2-amine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N-(2-pyrrolidin-1-ylethyl)propan-2-amine has a molecular weight of 3128.97 g/mol, XLogP of 23.85, 46 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;N-tert-butyl-N-(2-hydroxyethyl)methanesulfonamide;1-tert-butyl-4-methylbenzene;N-tert-butyl-N-(2-morpholin-4-ylethyl)methanesulfonamide;methane;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;2-methyl-1-methylsulfonylpropane;2-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-phenyl-N-propan-2-ylmethanesulfonamide;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-methyl-N-propan-2-ylbenzenesulfonamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methylpropylsulfonylbenzene;2-methylpropylsulfonylmethylbenzene;N-(2-piperidin-1-ylethyl)propan-2-amine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N-(2-pyrrolidin-1-ylethyl)propan-2-amine is sourced from PubChem (CID 161356832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).