N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;methane

C217H363N11O13 — CID 161257040

IUPACN-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1cc(CC2CCOCC2)ccn1.CC(C)(C)c1cccc(C(=O)N2CCOCC2)c1.CC(C)(C)c1cccc(C2CCCN2)c1.CC(C)(C)c1cccc(CC2CCOC2)c1.CC(C)(C)c1cccc(CC2COC2)c1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CC(C)(C)c1cccc(OC2CCOCC2)c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cncc(CC2CCOCC2)c1.CCN(c1cccc(C(C)(C)C)c1)C1CCOCC1.CCN(c1cccc(C(C)(C)C)c1C)C1CCOCC1.CN(c1cccc(C(C)(C)C)c1)C1CCOCC1.Cc1c(NC2CCOCC2)cccc1C(C)(C)C
InChIInChI=1S/C18H29NO.C17H27NO.2C16H25NO.C15H21NO2.3C15H23NO.C15H22O2.C15H22O.C14H21N.C14H20O.2C9H13N.14CH4/c1-6-19(15-10-12-20-13-11-15)17-9-7-8-16(14(17)2)18(3,4)5;1-5-18(15-9-11-19-12-10-15)16-8-6-7-14(13-16)17(2,3)4;1-16(2,3)13-6-5-7-15(12-13)17(4)14-8-10-18-11-9-14;1-12-14(16(2,3)4)6-5-7-15(12)17-13-8-10-18-11-9-13;1-15(2,3)13-6-4-5-12(11-13)14(17)16-7-9-18-10-8-16;1-15(2,3)14-11-13(4-7-16-14)10-12-5-8-17-9-6-12;1-15(2,3)14-9-13(10-16-11-14)8-12-4-6-17-7-5-12;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;1-15(2,3)12-5-4-6-14(11-12)17-13-7-9-16-10-8-13;1-15(2,3)14-6-4-5-12(10-14)9-13-7-8-16-11-13;1-14(2,3)12-7-4-6-11(10-12)13-8-5-9-15-13;1-14(2,3)13-6-4-5-11(8-13)7-12-9-15-10-12;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;;;;;;;;;;;;;;/h7-9,15H,6,10-13H2,1-5H3;6-8,13,15H,5,9-12H2,1-4H3;5-7,12,14H,8-11H2,1-4H3;5-7,13,17H,8-11H2,1-4H3;4-6,11H,7-10H2,1-3H3;4,7,11-12H,5-6,8-10H2,1-3H3;9-12H,4-8H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;4-6,11,13H,7-10H2,1-3H3;4-6,10,13H,7-9,11H2,1-3H3;4,6-7,10,13,15H,5,8-9H2,1-3H3;4-6,8,12H,7,9-10H2,1-3H3;2*4-7H,1-3H3;14*1H4
InChIKeyVCBDSJWNDPUIIJ-UHFFFAOYSA-N
MW3334.35 g/mol
LogP55.09
Rot. Bonds24

About N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;methane

N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;methane (PubChem CID 161257040) has the molecular formula C217H363N11O13 and a molecular weight of 3334.35 g/mol. Its IUPAC name is N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;methane.

Molecular Properties

Compound NameN-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;methane
PubChem CID161257040
Molecular FormulaC217H363N11O13
Molecular Weight3334.35 g/mol
Exact Mass3331.81
IUPAC NameN-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1cc(CC2CCOCC2)ccn1.CC(C)(C)c1cccc(C(=O)N2CCOCC2)c1.CC(C)(C)c1cccc(C2CCCN2)c1.CC(C)(C)c1cccc(CC2CCOC2)c1.CC(C)(C)c1cccc(CC2COC2)c1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CC(C)(C)c1cccc(OC2CCOCC2)c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cncc(CC2CCOCC2)c1.CCN(c1cccc(C(C)(C)C)c1)C1CCOCC1.CCN(c1cccc(C(C)(C)C)c1C)C1CCOCC1.CN(c1cccc(C(C)(C)C)c1)C1CCOCC1.Cc1c(NC2CCOCC2)cccc1C(C)(C)C
InChIInChI=1S/C18H29NO.C17H27NO.2C16H25NO.C15H21NO2.3C15H23NO.C15H22O2.C15H22O.C14H21N.C14H20O.2C9H13N.14CH4/c1-6-19(15-10-12-20-13-11-15)17-9-7-8-16(14(17)2)18(3,4)5;1-5-18(15-9-11-19-12-10-15)16-8-6-7-14(13-16)17(2,3)4;1-16(2,3)13-6-5-7-15(12-13)17(4)14-8-10-18-11-9-14;1-12-14(16(2,3)4)6-5-7-15(12)17-13-8-10-18-11-9-13;1-15(2,3)13-6-4-5-12(11-13)14(17)16-7-9-18-10-8-16;1-15(2,3)14-11-13(4-7-16-14)10-12-5-8-17-9-6-12;1-15(2,3)14-9-13(10-16-11-14)8-12-4-6-17-7-5-12;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;1-15(2,3)12-5-4-6-14(11-12)17-13-7-9-16-10-8-13;1-15(2,3)14-6-4-5-12(10-14)9-13-7-8-16-11-13;1-14(2,3)12-7-4-6-11(10-12)13-8-5-9-15-13;1-14(2,3)13-6-4-5-11(8-13)7-12-9-15-10-12;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;;;;;;;;;;;;;;/h7-9,15H,6,10-13H2,1-5H3;6-8,13,15H,5,9-12H2,1-4H3;5-7,12,14H,8-11H2,1-4H3;5-7,13,17H,8-11H2,1-4H3;4-6,11H,7-10H2,1-3H3;4,7,11-12H,5-6,8-10H2,1-3H3;9-12H,4-8H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;4-6,11,13H,7-10H2,1-3H3;4-6,10,13H,7-9,11H2,1-3H3;4,6-7,10,13,15H,5,8-9H2,1-3H3;4-6,8,12H,7,9-10H2,1-3H3;2*4-7H,1-3H3;14*1H4
InChIKeyVCBDSJWNDPUIIJ-UHFFFAOYSA-N
XLogP55.09
TPSA219.65 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003334.35
LogP ≤ 555.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;methane with MolForge

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Related Compounds

N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine
CID 161029409
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[methyl(oxan-4-yl)amino]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholin-4-ylmethyl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxetan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide
CID 159811631
1-(3-butoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[2-methyl-3-(oxan-4-ylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylpyrrolidin-3-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(morpholine-4-carbonyl)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxolan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyrrolidin-3-ylbenzamide
CID 159598393
4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl-methylamino]propan-2-one;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine;methane
CID 157271261
4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 158333276
4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-tert-butylquinoline;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;4-tert-butyl-2-(6,6,6-trifluorohexyl)pyridine
CID 162258240
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
(3-pyrimidin-2-yloxyphenyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125026126
methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate
CID 24791164
4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 158867438
oxalic acid;1-[4-[3-[2-(oxan-4-yl)ethoxy]benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 123342875
[4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 26340438

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;methane?
The IUPAC name of N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;methane (CID 161257040) is N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;methane.
What is the SMILES notation for N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;methane?
The canonical SMILES for N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1cc(CC2CCOCC2)ccn1.CC(C)(C)c1cccc(C(=O)N2CCOCC2)c1.CC(C)(C)c1cccc(C2CCCN2)c1.CC(C)(C)c1cccc(CC2CCOC2)c1.CC(C)(C)c1cccc(CC2COC2)c1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CC(C)(C)c1cccc(OC2CCOCC2)c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cncc(CC2CCOCC2)c1.CCN(c1cccc(C(C)(C)C)c1)C1CCOCC1.CCN(c1cccc(C(C)(C)C)c1C)C1CCOCC1.CN(c1cccc(C(C)(C)C)c1)C1CCOCC1.Cc1c(NC2CCOCC2)cccc1C(C)(C)C.
What is the InChIKey of N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;methane?
The InChIKey is VCBDSJWNDPUIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO.C17H27NO.2C16H25NO.C15H21NO2.3C15H23NO.C15H22O2.C15H22O.C14H21N.C14H20O.2C9H13N.14CH4/c1-6-19(15-10-12-20-13-11-15)17-9-7-8-16(14(17)2)18(3,4)5;1-5-18(15-9-11-19-12-10-15)16-8-6-7-14(13-16)17(2,3)4;1-16(2,3)13-6-5-7-15(12-13)17(4)14-8-10-18-11-9-14;1-12-14(16(2,3)4)6-5-7-15(12)17-13-8-10-18-11-9-13;1-15(2,3)13-6-4-5-12(11-13)14(17)16-7-9-18-10-8-16;1-15(2,3)14-11-13(4-7-16-14)10-12-5-8-17-9-6-12;1-15(2,3)14-9-13(10-16-11-14)8-12-4-6-17-7-5-12;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;1-15(2,3)12-5-4-6-14(11-12)17-13-7-9-16-10-8-13;1-15(2,3)14-6-4-5-12(10-14)9-13-7-8-16-11-13;1-14(2,3)12-7-4-6-11(10-12)13-8-5-9-15-13;1-14(2,3)13-6-4-5-11(8-13)7-12-9-15-10-12;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;;;;;;;;;;;;;;/h7-9,15H,6,10-13H2,1-5H3;6-8,13,15H,5,9-12H2,1-4H3;5-7,12,14H,8-11H2,1-4H3;5-7,13,17H,8-11H2,1-4H3;4-6,11H,7-10H2,1-3H3;4,7,11-12H,5-6,8-10H2,1-3H3;9-12H,4-8H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;4-6,11,13H,7-10H2,1-3H3;4-6,10,13H,7-9,11H2,1-3H3;4,6-7,10,13,15H,5,8-9H2,1-3H3;4-6,8,12H,7,9-10H2,1-3H3;2*4-7H,1-3H3;14*1H4.
What are the key properties of N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;methane?
N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;methane has a molecular weight of 3334.35 g/mol, XLogP of 55.09, 24 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-2-methylphenyl)-N-ethyloxan-4-amine;N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;N-(3-tert-butylphenyl)-N-ethyloxan-4-amine;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;methane is sourced from PubChem (CID 161257040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).