tert-butylbenzene;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;(3R)-1-tert-butyl-3-ethylpiperidine;(3S)-1-tert-butyl-3-ethylpiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butylpyrrolidin-2-one;[(2S)-1-tert-butylpyrrolidin-2-yl]methanol;[(2R)-1-tert-butylpyrrolidin-2-yl]methanol;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethylpropanamide;bis(2,2-dimethylpropane);2,2-dimethylpropylbenzene;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2R)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2-methylpropan-2-yl)oxybenzene;2-[(2-methylpropan-2-yl)oxymethyl]pyridine

C220H436N24O18 — CID 159131425

IUPACtert-butylbenzene;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;(3R)-1-tert-butyl-3-ethylpiperidine;(3S)-1-tert-butyl-3-ethylpiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butylpyrrolidin-2-one;[(2S)-1-tert-butylpyrrolidin-2-yl]methanol;[(2R)-1-tert-butylpyrrolidin-2-yl]methanol;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethylpropanamide;bis(2,2-dimethylpropane);2,2-dimethylpropylbenzene;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2R)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2-methylpropan-2-yl)oxybenzene;2-[(2-methylpropan-2-yl)oxymethyl]pyridine
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(N)=O.CC(C)(C)Cc1ccccc1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCC[C@@H]1CO.CC(C)(C)N1CCC[C@H]1CO.CC(C)(C)OCc1ccccn1.CC(C)(C)Oc1ccccc1.CC(C)(C)c1ccccc1.CC[C@@H]1CCCN(C(C)(C)C)C1.CC[C@H]1CCCN(C(C)(C)C)C1.CN(C)CCCNC(C)(C)C.CN1CCC[C@@H]1COC(C)(C)C.CN1CCC[C@H]1COC(C)(C)C.CN1CCN(C(=O)C(C)(C)C)CC1.CN1CCN(C(C)(C)C)C(=O)C1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1=O.CN1CCO[C@@H](COC(C)(C)C)C1.CN1CCO[C@H](COC(C)(C)C)C1.CN1CC[C@@H](COC(C)(C)C)C1.CN1CC[C@H](COC(C)(C)C)C1
InChIInChI=1S/2C11H23N.C11H16.C10H20N2O.2C10H21NO2.4C10H21NO.C10H15NO.C10H19NO.C10H14O.C10H14.2C9H18N2O.C9H20N2.C9H22N2.2C9H19NO.C8H15NO.C5H11NO.2C5H12/c2*1-5-10-7-6-8-12(9-10)11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)9(13)12-7-5-11(4)6-8-12;2*1-10(2,3)13-8-9-7-11(4)5-6-12-9;2*1-10(2,3)12-8-9-5-6-11(4)7-9;2*1-10(2,3)12-8-9-6-5-7-11(9)4;1-10(2,3)12-8-9-6-4-5-7-11-9;1-10(2,3)9(12)11-7-5-4-6-8-11;1-10(2,3)11-9-7-5-4-6-8-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-6-5-10(4)8(12)7-11;1-9(2,3)11-6-5-10(4)7-8(11)12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-6-8-11(4)5;2*1-9(2,3)10-6-4-5-8(10)7-11;1-8(2,3)9-6-4-5-7(9)10;1-5(2,3)4(6)7;2*1-5(2,3)4/h2*10H,5-9H2,1-4H3;4-8H,9H2,1-3H3;5-8H2,1-4H3;2*9H,5-8H2,1-4H3;4*9H,5-8H2,1-4H3;4-7H,8H2,1-3H3;4-8H2,1-3H3;4-8H,1-3H3;4-8H,1-3H3;2*5-7H2,1-4H3;5-8H2,1-4H3;10H,6-8H2,1-5H3;2*8,11H,4-7H2,1-3H3;4-6H2,1-3H3;1-3H3,(H2,6,7);2*1-4H3/t2*10-;;;6*9-;;;;;;;;;2*8-;;;;/m10..101010........10..../s1
InChIKeyKGYDVPNGQAGVTH-JCSZXXIXSA-N
MW3706.06 g/mol
LogP41.74
Rot. Bonds24

About tert-butylbenzene;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;(3R)-1-tert-butyl-3-ethylpiperidine;(3S)-1-tert-butyl-3-ethylpiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butylpyrrolidin-2-one;[(2S)-1-tert-butylpyrrolidin-2-yl]methanol;[(2R)-1-tert-butylpyrrolidin-2-yl]methanol;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethylpropanamide;bis(2,2-dimethylpropane);2,2-dimethylpropylbenzene;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2R)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2-methylpropan-2-yl)oxybenzene;2-[(2-methylpropan-2-yl)oxymethyl]pyridine

tert-butylbenzene;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;(3R)-1-tert-butyl-3-ethylpiperidine;(3S)-1-tert-butyl-3-ethylpiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butylpyrrolidin-2-one;[(2S)-1-tert-butylpyrrolidin-2-yl]methanol;[(2R)-1-tert-butylpyrrolidin-2-yl]methanol;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethylpropanamide;bis(2,2-dimethylpropane);2,2-dimethylpropylbenzene;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2R)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2-methylpropan-2-yl)oxybenzene;2-[(2-methylpropan-2-yl)oxymethyl]pyridine (PubChem CID 159131425) has the molecular formula C220H436N24O18 and a molecular weight of 3706.06 g/mol. Its IUPAC name is tert-butylbenzene;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;(3R)-1-tert-butyl-3-ethylpiperidine;(3S)-1-tert-butyl-3-ethylpiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butylpyrrolidin-2-one;[(2S)-1-tert-butylpyrrolidin-2-yl]methanol;[(2R)-1-tert-butylpyrrolidin-2-yl]methanol;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethylpropanamide;bis(2,2-dimethylpropane);2,2-dimethylpropylbenzene;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2R)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2-methylpropan-2-yl)oxybenzene;2-[(2-methylpropan-2-yl)oxymethyl]pyridine.

Molecular Properties

Compound Nametert-butylbenzene;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;(3R)-1-tert-butyl-3-ethylpiperidine;(3S)-1-tert-butyl-3-ethylpiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butylpyrrolidin-2-one;[(2S)-1-tert-butylpyrrolidin-2-yl]methanol;[(2R)-1-tert-butylpyrrolidin-2-yl]methanol;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethylpropanamide;bis(2,2-dimethylpropane);2,2-dimethylpropylbenzene;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2R)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2-methylpropan-2-yl)oxybenzene;2-[(2-methylpropan-2-yl)oxymethyl]pyridine
PubChem CID159131425
Molecular FormulaC220H436N24O18
Molecular Weight3706.06 g/mol
Exact Mass3703.39
IUPAC Nametert-butylbenzene;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;(3R)-1-tert-butyl-3-ethylpiperidine;(3S)-1-tert-butyl-3-ethylpiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butylpyrrolidin-2-one;[(2S)-1-tert-butylpyrrolidin-2-yl]methanol;[(2R)-1-tert-butylpyrrolidin-2-yl]methanol;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethylpropanamide;bis(2,2-dimethylpropane);2,2-dimethylpropylbenzene;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2R)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2-methylpropan-2-yl)oxybenzene;2-[(2-methylpropan-2-yl)oxymethyl]pyridine
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(N)=O.CC(C)(C)Cc1ccccc1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCC[C@@H]1CO.CC(C)(C)N1CCC[C@H]1CO.CC(C)(C)OCc1ccccn1.CC(C)(C)Oc1ccccc1.CC(C)(C)c1ccccc1.CC[C@@H]1CCCN(C(C)(C)C)C1.CC[C@H]1CCCN(C(C)(C)C)C1.CN(C)CCCNC(C)(C)C.CN1CCC[C@@H]1COC(C)(C)C.CN1CCC[C@H]1COC(C)(C)C.CN1CCN(C(=O)C(C)(C)C)CC1.CN1CCN(C(C)(C)C)C(=O)C1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1=O.CN1CCO[C@@H](COC(C)(C)C)C1.CN1CCO[C@H](COC(C)(C)C)C1.CN1CC[C@@H](COC(C)(C)C)C1.CN1CC[C@H](COC(C)(C)C)C1
InChIInChI=1S/2C11H23N.C11H16.C10H20N2O.2C10H21NO2.4C10H21NO.C10H15NO.C10H19NO.C10H14O.C10H14.2C9H18N2O.C9H20N2.C9H22N2.2C9H19NO.C8H15NO.C5H11NO.2C5H12/c2*1-5-10-7-6-8-12(9-10)11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)9(13)12-7-5-11(4)6-8-12;2*1-10(2,3)13-8-9-7-11(4)5-6-12-9;2*1-10(2,3)12-8-9-5-6-11(4)7-9;2*1-10(2,3)12-8-9-6-5-7-11(9)4;1-10(2,3)12-8-9-6-4-5-7-11-9;1-10(2,3)9(12)11-7-5-4-6-8-11;1-10(2,3)11-9-7-5-4-6-8-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-6-5-10(4)8(12)7-11;1-9(2,3)11-6-5-10(4)7-8(11)12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-6-8-11(4)5;2*1-9(2,3)10-6-4-5-8(10)7-11;1-8(2,3)9-6-4-5-7(9)10;1-5(2,3)4(6)7;2*1-5(2,3)4/h2*10H,5-9H2,1-4H3;4-8H,9H2,1-3H3;5-8H2,1-4H3;2*9H,5-8H2,1-4H3;4*9H,5-8H2,1-4H3;4-7H,8H2,1-3H3;4-8H2,1-3H3;4-8H,1-3H3;4-8H,1-3H3;2*5-7H2,1-4H3;5-8H2,1-4H3;10H,6-8H2,1-5H3;2*8,11H,4-7H2,1-3H3;4-6H2,1-3H3;1-3H3,(H2,6,7);2*1-4H3/t2*10-;;;6*9-;;;;;;;;;2*8-;;;;/m10..101010........10..../s1
InChIKeyKGYDVPNGQAGVTH-JCSZXXIXSA-N
XLogP41.74
TPSA354.16 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds24
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003706.06
LogP ≤ 541.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Analyze tert-butylbenzene;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;(3R)-1-tert-butyl-3-ethylpiperidine;(3S)-1-tert-butyl-3-ethylpiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butylpyrrolidin-2-one;[(2S)-1-tert-butylpyrrolidin-2-yl]methanol;[(2R)-1-tert-butylpyrrolidin-2-yl]methanol;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethylpropanamide;bis(2,2-dimethylpropane);2,2-dimethylpropylbenzene;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2R)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2-methylpropan-2-yl)oxybenzene;2-[(2-methylpropan-2-yl)oxymethyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;(3R)-1-tert-butyl-3-ethylpiperidine;(3S)-1-tert-butyl-3-ethylpiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butylpyrrolidin-2-one;[(2S)-1-tert-butylpyrrolidin-2-yl]methanol;[(2R)-1-tert-butylpyrrolidin-2-yl]methanol;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethylpropanamide;bis(2,2-dimethylpropane);2,2-dimethylpropylbenzene;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2R)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2-methylpropan-2-yl)oxybenzene;2-[(2-methylpropan-2-yl)oxymethyl]pyridine?
The IUPAC name of tert-butylbenzene;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;(3R)-1-tert-butyl-3-ethylpiperidine;(3S)-1-tert-butyl-3-ethylpiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butylpyrrolidin-2-one;[(2S)-1-tert-butylpyrrolidin-2-yl]methanol;[(2R)-1-tert-butylpyrrolidin-2-yl]methanol;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethylpropanamide;bis(2,2-dimethylpropane);2,2-dimethylpropylbenzene;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2R)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2-methylpropan-2-yl)oxybenzene;2-[(2-methylpropan-2-yl)oxymethyl]pyridine (CID 159131425) is tert-butylbenzene;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;(3R)-1-tert-butyl-3-ethylpiperidine;(3S)-1-tert-butyl-3-ethylpiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butylpyrrolidin-2-one;[(2S)-1-tert-butylpyrrolidin-2-yl]methanol;[(2R)-1-tert-butylpyrrolidin-2-yl]methanol;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethylpropanamide;bis(2,2-dimethylpropane);2,2-dimethylpropylbenzene;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2R)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2-methylpropan-2-yl)oxybenzene;2-[(2-methylpropan-2-yl)oxymethyl]pyridine.
What is the SMILES notation for tert-butylbenzene;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;(3R)-1-tert-butyl-3-ethylpiperidine;(3S)-1-tert-butyl-3-ethylpiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butylpyrrolidin-2-one;[(2S)-1-tert-butylpyrrolidin-2-yl]methanol;[(2R)-1-tert-butylpyrrolidin-2-yl]methanol;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethylpropanamide;bis(2,2-dimethylpropane);2,2-dimethylpropylbenzene;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2R)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2-methylpropan-2-yl)oxybenzene;2-[(2-methylpropan-2-yl)oxymethyl]pyridine?
The canonical SMILES for tert-butylbenzene;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;(3R)-1-tert-butyl-3-ethylpiperidine;(3S)-1-tert-butyl-3-ethylpiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butylpyrrolidin-2-one;[(2S)-1-tert-butylpyrrolidin-2-yl]methanol;[(2R)-1-tert-butylpyrrolidin-2-yl]methanol;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethylpropanamide;bis(2,2-dimethylpropane);2,2-dimethylpropylbenzene;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2R)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2-methylpropan-2-yl)oxybenzene;2-[(2-methylpropan-2-yl)oxymethyl]pyridine is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(N)=O.CC(C)(C)Cc1ccccc1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCC[C@@H]1CO.CC(C)(C)N1CCC[C@H]1CO.CC(C)(C)OCc1ccccn1.CC(C)(C)Oc1ccccc1.CC(C)(C)c1ccccc1.CC[C@@H]1CCCN(C(C)(C)C)C1.CC[C@H]1CCCN(C(C)(C)C)C1.CN(C)CCCNC(C)(C)C.CN1CCC[C@@H]1COC(C)(C)C.CN1CCC[C@H]1COC(C)(C)C.CN1CCN(C(=O)C(C)(C)C)CC1.CN1CCN(C(C)(C)C)C(=O)C1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1=O.CN1CCO[C@@H](COC(C)(C)C)C1.CN1CCO[C@H](COC(C)(C)C)C1.CN1CC[C@@H](COC(C)(C)C)C1.CN1CC[C@H](COC(C)(C)C)C1.
What is the InChIKey of tert-butylbenzene;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;(3R)-1-tert-butyl-3-ethylpiperidine;(3S)-1-tert-butyl-3-ethylpiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butylpyrrolidin-2-one;[(2S)-1-tert-butylpyrrolidin-2-yl]methanol;[(2R)-1-tert-butylpyrrolidin-2-yl]methanol;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethylpropanamide;bis(2,2-dimethylpropane);2,2-dimethylpropylbenzene;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2R)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2-methylpropan-2-yl)oxybenzene;2-[(2-methylpropan-2-yl)oxymethyl]pyridine?
The InChIKey is KGYDVPNGQAGVTH-JCSZXXIXSA-N. The full InChI is InChI=1S/2C11H23N.C11H16.C10H20N2O.2C10H21NO2.4C10H21NO.C10H15NO.C10H19NO.C10H14O.C10H14.2C9H18N2O.C9H20N2.C9H22N2.2C9H19NO.C8H15NO.C5H11NO.2C5H12/c2*1-5-10-7-6-8-12(9-10)11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)9(13)12-7-5-11(4)6-8-12;2*1-10(2,3)13-8-9-7-11(4)5-6-12-9;2*1-10(2,3)12-8-9-5-6-11(4)7-9;2*1-10(2,3)12-8-9-6-5-7-11(9)4;1-10(2,3)12-8-9-6-4-5-7-11-9;1-10(2,3)9(12)11-7-5-4-6-8-11;1-10(2,3)11-9-7-5-4-6-8-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-6-5-10(4)8(12)7-11;1-9(2,3)11-6-5-10(4)7-8(11)12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-6-8-11(4)5;2*1-9(2,3)10-6-4-5-8(10)7-11;1-8(2,3)9-6-4-5-7(9)10;1-5(2,3)4(6)7;2*1-5(2,3)4/h2*10H,5-9H2,1-4H3;4-8H,9H2,1-3H3;5-8H2,1-4H3;2*9H,5-8H2,1-4H3;4*9H,5-8H2,1-4H3;4-7H,8H2,1-3H3;4-8H2,1-3H3;4-8H,1-3H3;4-8H,1-3H3;2*5-7H2,1-4H3;5-8H2,1-4H3;10H,6-8H2,1-5H3;2*8,11H,4-7H2,1-3H3;4-6H2,1-3H3;1-3H3,(H2,6,7);2*1-4H3/t2*10-;;;6*9-;;;;;;;;;2*8-;;;;/m10..101010........10..../s1.
What are the key properties of tert-butylbenzene;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;(3R)-1-tert-butyl-3-ethylpiperidine;(3S)-1-tert-butyl-3-ethylpiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butylpyrrolidin-2-one;[(2S)-1-tert-butylpyrrolidin-2-yl]methanol;[(2R)-1-tert-butylpyrrolidin-2-yl]methanol;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethylpropanamide;bis(2,2-dimethylpropane);2,2-dimethylpropylbenzene;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2R)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2-methylpropan-2-yl)oxybenzene;2-[(2-methylpropan-2-yl)oxymethyl]pyridine?
tert-butylbenzene;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;(3R)-1-tert-butyl-3-ethylpiperidine;(3S)-1-tert-butyl-3-ethylpiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butylpyrrolidin-2-one;[(2S)-1-tert-butylpyrrolidin-2-yl]methanol;[(2R)-1-tert-butylpyrrolidin-2-yl]methanol;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethylpropanamide;bis(2,2-dimethylpropane);2,2-dimethylpropylbenzene;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2R)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2-methylpropan-2-yl)oxybenzene;2-[(2-methylpropan-2-yl)oxymethyl]pyridine has a molecular weight of 3706.06 g/mol, XLogP of 41.74, 24 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;(3R)-1-tert-butyl-3-ethylpiperidine;(3S)-1-tert-butyl-3-ethylpiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butylpyrrolidin-2-one;[(2S)-1-tert-butylpyrrolidin-2-yl]methanol;[(2R)-1-tert-butylpyrrolidin-2-yl]methanol;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethylpropanamide;bis(2,2-dimethylpropane);2,2-dimethylpropylbenzene;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]morpholine;(2S)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2R)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3S)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(2-methylpropan-2-yl)oxybenzene;2-[(2-methylpropan-2-yl)oxymethyl]pyridine is sourced from PubChem (CID 159131425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).