4-tert-butyl-2-methylmorpholine;4-tert-butyl-2-methylmorpholine-2-carboxylic acid;8-tert-butyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;4-tert-butylmorpholine;carbon dioxide;1-cyclopropyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylsulfonyl-4-propan-2-ylpiperazine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-propan-2-ylazepane;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;1-(4-propan-2-ylpiperazin-1-yl)ethanone

C148H300FN23O17S2 — CID 159448217

IUPAC4-tert-butyl-2-methylmorpholine;4-tert-butyl-2-methylmorpholine-2-carboxylic acid;8-tert-butyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;4-tert-butylmorpholine;carbon dioxide;1-cyclopropyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylsulfonyl-4-propan-2-ylpiperazine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-propan-2-ylazepane;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1CCC2(CC1)CCN(S(C)(=O)=O)C2.CC(C)(C)N1CCOCC1.CC(C)N1C2CCC1COC2.CC(C)N1CC2CCC(C1)O2.CC(C)N1CC2COCC2C1.CC(C)N1CCC2(CCOCC2)C1.CC(C)N1CCCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C2CC2)CC1.CC(C)N1CCN(CCF)CC1.CC(C)N1CCN(S(C)(=O)=O)CC1.CC(C)N1CCOCC1.CC1(C(=O)O)CN(C(C)(C)C)CCO1.CC1CN(C(C)(C)C)CCO1.CCN1CCN(C(C)C)CC1.O=C=O
InChIInChI=1S/C13H26N2O2S.C11H21NO.C10H20N2.C10H19NO3.C9H19FN2.C9H18N2O.C9H20N2.3C9H17NO.C9H19NO.C9H19N.C8H18N2O2S.C8H18N2.C8H17NO.C7H15NO.CO2/c1-12(2,3)14-8-5-13(6-9-14)7-10-15(11-13)18(4,16)17;1-10(2)12-6-3-11(9-12)4-7-13-8-5-11;1-9(2)11-5-7-12(8-6-11)10-3-4-10;1-9(2,3)11-5-6-14-10(4,7-11)8(12)13;1-9(2)12-7-5-11(4-3-10)6-8-12;1-8(2)10-4-6-11(7-5-10)9(3)12;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)10-3-8-5-11-6-9(8)4-10;1-7(2)10-8-3-4-9(10)6-11-5-8;1-7(2)10-5-8-3-4-9(6-10)11-8;1-8-7-10(5-6-11-8)9(2,3)4;1-9(2)10-7-5-3-4-6-8-10;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-8(2)10-6-4-9(3)5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2)8-3-5-9-6-4-8;2-1-3/h5-11H2,1-4H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;5-7H2,1-4H3,(H,12,13);9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;3*7-9H,3-6H2,1-2H3;8H,5-7H2,1-4H3;9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;7H,3-6H2,1-2H3;
InChIKeyLTAMNULVVFHPTF-UHFFFAOYSA-N
MW2757.30 g/mol
LogP17.28
Rot. Bonds19

About 4-tert-butyl-2-methylmorpholine;4-tert-butyl-2-methylmorpholine-2-carboxylic acid;8-tert-butyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;4-tert-butylmorpholine;carbon dioxide;1-cyclopropyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylsulfonyl-4-propan-2-ylpiperazine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-propan-2-ylazepane;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;1-(4-propan-2-ylpiperazin-1-yl)ethanone

4-tert-butyl-2-methylmorpholine;4-tert-butyl-2-methylmorpholine-2-carboxylic acid;8-tert-butyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;4-tert-butylmorpholine;carbon dioxide;1-cyclopropyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylsulfonyl-4-propan-2-ylpiperazine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-propan-2-ylazepane;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 159448217) has the molecular formula C148H300FN23O17S2 and a molecular weight of 2757.30 g/mol. Its IUPAC name is 4-tert-butyl-2-methylmorpholine;4-tert-butyl-2-methylmorpholine-2-carboxylic acid;8-tert-butyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;4-tert-butylmorpholine;carbon dioxide;1-cyclopropyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylsulfonyl-4-propan-2-ylpiperazine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-propan-2-ylazepane;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name4-tert-butyl-2-methylmorpholine;4-tert-butyl-2-methylmorpholine-2-carboxylic acid;8-tert-butyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;4-tert-butylmorpholine;carbon dioxide;1-cyclopropyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylsulfonyl-4-propan-2-ylpiperazine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-propan-2-ylazepane;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID159448217
Molecular FormulaC148H300FN23O17S2
Molecular Weight2757.30 g/mol
Exact Mass2755.27
IUPAC Name4-tert-butyl-2-methylmorpholine;4-tert-butyl-2-methylmorpholine-2-carboxylic acid;8-tert-butyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;4-tert-butylmorpholine;carbon dioxide;1-cyclopropyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylsulfonyl-4-propan-2-ylpiperazine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-propan-2-ylazepane;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1CCC2(CC1)CCN(S(C)(=O)=O)C2.CC(C)(C)N1CCOCC1.CC(C)N1C2CCC1COC2.CC(C)N1CC2CCC(C1)O2.CC(C)N1CC2COCC2C1.CC(C)N1CCC2(CCOCC2)C1.CC(C)N1CCCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C2CC2)CC1.CC(C)N1CCN(CCF)CC1.CC(C)N1CCN(S(C)(=O)=O)CC1.CC(C)N1CCOCC1.CC1(C(=O)O)CN(C(C)(C)C)CCO1.CC1CN(C(C)(C)C)CCO1.CCN1CCN(C(C)C)CC1.O=C=O
InChIInChI=1S/C13H26N2O2S.C11H21NO.C10H20N2.C10H19NO3.C9H19FN2.C9H18N2O.C9H20N2.3C9H17NO.C9H19NO.C9H19N.C8H18N2O2S.C8H18N2.C8H17NO.C7H15NO.CO2/c1-12(2,3)14-8-5-13(6-9-14)7-10-15(11-13)18(4,16)17;1-10(2)12-6-3-11(9-12)4-7-13-8-5-11;1-9(2)11-5-7-12(8-6-11)10-3-4-10;1-9(2,3)11-5-6-14-10(4,7-11)8(12)13;1-9(2)12-7-5-11(4-3-10)6-8-12;1-8(2)10-4-6-11(7-5-10)9(3)12;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)10-3-8-5-11-6-9(8)4-10;1-7(2)10-8-3-4-9(10)6-11-5-8;1-7(2)10-5-8-3-4-9(6-10)11-8;1-8-7-10(5-6-11-8)9(2,3)4;1-9(2)10-7-5-3-4-6-8-10;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-8(2)10-6-4-9(3)5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2)8-3-5-9-6-4-8;2-1-3/h5-11H2,1-4H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;5-7H2,1-4H3,(H,12,13);9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;3*7-9H,3-6H2,1-2H3;8H,5-7H2,1-4H3;9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;7H,3-6H2,1-2H3;
InChIKeyLTAMNULVVFHPTF-UHFFFAOYSA-N
XLogP17.28
TPSA305.15 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds19
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002757.30
LogP ≤ 517.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Analyze 4-tert-butyl-2-methylmorpholine;4-tert-butyl-2-methylmorpholine-2-carboxylic acid;8-tert-butyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;4-tert-butylmorpholine;carbon dioxide;1-cyclopropyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylsulfonyl-4-propan-2-ylpiperazine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-propan-2-ylazepane;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;1-(4-propan-2-ylpiperazin-1-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butylaziridine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;2-propan-2-yl-2-azaspiro[4.4]nonane;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-ylazepane;1-propan-2-ylazetidine;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane;4-propan-2-yloxane;4-propan-2-yl-1,4-oxazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide
CID 159954605
7-tert-butyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-4,4-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);bis(1-tert-butyl-4-ethylpiperazin-2-one);1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidine-4-carbonitrile;(3R)-1-tert-butyl-3-methylpyrrolidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholin-3-one;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;1-tert-butylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol
CID 160855417
(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylsulfonylpiperazine;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidin-4-amine;bis(1-tert-butyl-4-propan-2-ylpiperazine);(3R)-1-tert-butylpyrrolidin-3-amine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;3-methoxy-1-propan-2-ylazetidine;1-propan-2-ylazetidin-3-amine;4-propan-2-yl-1,4-oxazepane
CID 158453204
1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine;1-N-tert-butyl-1-N,3-N-dimethyl-3-N-[2-[methyl(prop-1-en-2-yl)amino]ethyl]butane-1,3-diamine;1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine
CID 158981777
3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-yl-1-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;1-propan-2-ylazetidine;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide
CID 158905238
6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2,2-difluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-dimethyl-1-propan-2-ylazetidine;3-methoxy-3-methyl-1-propan-2-ylazetidine;1-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-methyl-1-propan-2-ylazetidin-3-ol;(3-methyl-1-propan-2-ylazetidin-3-yl)methanol;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;(1R,5S)-3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;bis(8-propan-2-yl-8-azabicyclo[3.2.1]octane);2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.5]nonane;1-propan-2-ylazepane;4-propan-2-ylmorpholine;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;7-propan-2-yl-4-oxa-7-azaspiro[2.5]octane
CID 158350626
1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylsulfonylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);methane
CID 158737237
(3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine)
CID 157128464
8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 163514745
2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 158229285
5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 167617800
1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane
CID 157338364

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methylmorpholine;4-tert-butyl-2-methylmorpholine-2-carboxylic acid;8-tert-butyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;4-tert-butylmorpholine;carbon dioxide;1-cyclopropyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylsulfonyl-4-propan-2-ylpiperazine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-propan-2-ylazepane;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 4-tert-butyl-2-methylmorpholine;4-tert-butyl-2-methylmorpholine-2-carboxylic acid;8-tert-butyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;4-tert-butylmorpholine;carbon dioxide;1-cyclopropyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylsulfonyl-4-propan-2-ylpiperazine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-propan-2-ylazepane;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 159448217) is 4-tert-butyl-2-methylmorpholine;4-tert-butyl-2-methylmorpholine-2-carboxylic acid;8-tert-butyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;4-tert-butylmorpholine;carbon dioxide;1-cyclopropyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylsulfonyl-4-propan-2-ylpiperazine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-propan-2-ylazepane;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 4-tert-butyl-2-methylmorpholine;4-tert-butyl-2-methylmorpholine-2-carboxylic acid;8-tert-butyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;4-tert-butylmorpholine;carbon dioxide;1-cyclopropyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylsulfonyl-4-propan-2-ylpiperazine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-propan-2-ylazepane;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 4-tert-butyl-2-methylmorpholine;4-tert-butyl-2-methylmorpholine-2-carboxylic acid;8-tert-butyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;4-tert-butylmorpholine;carbon dioxide;1-cyclopropyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylsulfonyl-4-propan-2-ylpiperazine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-propan-2-ylazepane;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1CCC2(CC1)CCN(S(C)(=O)=O)C2.CC(C)(C)N1CCOCC1.CC(C)N1C2CCC1COC2.CC(C)N1CC2CCC(C1)O2.CC(C)N1CC2COCC2C1.CC(C)N1CCC2(CCOCC2)C1.CC(C)N1CCCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C2CC2)CC1.CC(C)N1CCN(CCF)CC1.CC(C)N1CCN(S(C)(=O)=O)CC1.CC(C)N1CCOCC1.CC1(C(=O)O)CN(C(C)(C)C)CCO1.CC1CN(C(C)(C)C)CCO1.CCN1CCN(C(C)C)CC1.O=C=O.
What is the InChIKey of 4-tert-butyl-2-methylmorpholine;4-tert-butyl-2-methylmorpholine-2-carboxylic acid;8-tert-butyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;4-tert-butylmorpholine;carbon dioxide;1-cyclopropyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylsulfonyl-4-propan-2-ylpiperazine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-propan-2-ylazepane;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is LTAMNULVVFHPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S.C11H21NO.C10H20N2.C10H19NO3.C9H19FN2.C9H18N2O.C9H20N2.3C9H17NO.C9H19NO.C9H19N.C8H18N2O2S.C8H18N2.C8H17NO.C7H15NO.CO2/c1-12(2,3)14-8-5-13(6-9-14)7-10-15(11-13)18(4,16)17;1-10(2)12-6-3-11(9-12)4-7-13-8-5-11;1-9(2)11-5-7-12(8-6-11)10-3-4-10;1-9(2,3)11-5-6-14-10(4,7-11)8(12)13;1-9(2)12-7-5-11(4-3-10)6-8-12;1-8(2)10-4-6-11(7-5-10)9(3)12;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)10-3-8-5-11-6-9(8)4-10;1-7(2)10-8-3-4-9(10)6-11-5-8;1-7(2)10-5-8-3-4-9(6-10)11-8;1-8-7-10(5-6-11-8)9(2,3)4;1-9(2)10-7-5-3-4-6-8-10;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-8(2)10-6-4-9(3)5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2)8-3-5-9-6-4-8;2-1-3/h5-11H2,1-4H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;5-7H2,1-4H3,(H,12,13);9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;3*7-9H,3-6H2,1-2H3;8H,5-7H2,1-4H3;9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;7H,3-6H2,1-2H3;.
What are the key properties of 4-tert-butyl-2-methylmorpholine;4-tert-butyl-2-methylmorpholine-2-carboxylic acid;8-tert-butyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;4-tert-butylmorpholine;carbon dioxide;1-cyclopropyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylsulfonyl-4-propan-2-ylpiperazine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-propan-2-ylazepane;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
4-tert-butyl-2-methylmorpholine;4-tert-butyl-2-methylmorpholine-2-carboxylic acid;8-tert-butyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;4-tert-butylmorpholine;carbon dioxide;1-cyclopropyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylsulfonyl-4-propan-2-ylpiperazine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-propan-2-ylazepane;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 2757.30 g/mol, XLogP of 17.28, 19 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methylmorpholine;4-tert-butyl-2-methylmorpholine-2-carboxylic acid;8-tert-butyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;4-tert-butylmorpholine;carbon dioxide;1-cyclopropyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;1-(2-fluoroethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylsulfonyl-4-propan-2-ylpiperazine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;1-propan-2-ylazepane;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 159448217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).