ethane;3-methylbutan-1-ol;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(2S)-4-methylpentan-2-ol;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine

C153H302N18O4 — CID 158463920

IUPACethane;3-methylbutan-1-ol;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(2S)-4-methylpentan-2-ol;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine
SMILESCC.CC.CC.CC(C)CC1=NCCN1.CC(C)CC1CCCC1.CC(C)CC1CCCC1.CC(C)CCN(C)C.CC(C)CCN1CCCC1.CC(C)CCO.CC(C)CCc1cnc[nH]1.CC(C)CCc1ncc[nH]1.CC(C)C[C@@H]1CCCOC1.CC(C)C[C@@H]1CCN1.CC(C)C[C@@H]1CNCCO1.CC(C)C[C@H](C)O.CC(C)C[C@H]1CCN1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1cnc[nH]1.CC(C)Cc1ncc[nH]1.CCCCC(C)C
InChIInChI=1S/C9H13N.C9H19N.2C9H13N.C9H18O.2C9H18.2C8H14N2.C8H17NO.C7H12N2.C7H14N2.C7H12N2.2C7H15N.C7H17N.C7H16.C6H14O.C5H12O.3C2H6/c1-8(2)7-9-3-5-10-6-4-9;1-9(2)5-8-10-6-3-4-7-10;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)6-9-4-3-5-10-7-9;2*1-8(2)7-9-5-3-4-6-9;1-7(2)3-4-8-5-9-6-10-8;1-7(2)3-4-8-9-5-6-10-8;1-7(2)5-8-6-9-3-4-10-8;1-6(2)3-7-4-8-5-9-7;2*1-6(2)5-7-8-3-4-9-7;2*1-6(2)5-7-3-4-8-7;1-7(2)5-6-8(3)4;1-4-5-6-7(2)3;1-5(2)4-6(3)7;1-5(2)3-4-6;3*1-2/h3-6,8H,7H2,1-2H3;9H,3-8H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;2*8-9H,3-7H2,1-2H3;2*5-7H,3-4H2,1-2H3,(H,9,10);7-9H,3-6H2,1-2H3;4-6H,3H2,1-2H3,(H,8,9);6H,3-5H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3,(H,8,9);2*6-8H,3-5H2,1-2H3;7H,5-6H2,1-4H3;7H,4-6H2,1-3H3;5-7H,4H2,1-3H3;5-6H,3-4H2,1-2H3;3*1-2H3/t;;;;9-;;;;;8-;;;;2*7-;;;6-;;;;/m....0....1...10..0..../s1
InChIKeyHFNAHJXZYZNXGA-WELSHETRSA-N
MW2458.22 g/mol
LogP39.87
Rot. Bonds43

About ethane;3-methylbutan-1-ol;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(2S)-4-methylpentan-2-ol;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine

ethane;3-methylbutan-1-ol;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(2S)-4-methylpentan-2-ol;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine (PubChem CID 158463920) has the molecular formula C153H302N18O4 and a molecular weight of 2458.22 g/mol. Its IUPAC name is ethane;3-methylbutan-1-ol;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(2S)-4-methylpentan-2-ol;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine.

Molecular Properties

Compound Nameethane;3-methylbutan-1-ol;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(2S)-4-methylpentan-2-ol;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine
PubChem CID158463920
Molecular FormulaC153H302N18O4
Molecular Weight2458.22 g/mol
Exact Mass2456.40
IUPAC Nameethane;3-methylbutan-1-ol;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(2S)-4-methylpentan-2-ol;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine
SMILESCC.CC.CC.CC(C)CC1=NCCN1.CC(C)CC1CCCC1.CC(C)CC1CCCC1.CC(C)CCN(C)C.CC(C)CCN1CCCC1.CC(C)CCO.CC(C)CCc1cnc[nH]1.CC(C)CCc1ncc[nH]1.CC(C)C[C@@H]1CCCOC1.CC(C)C[C@@H]1CCN1.CC(C)C[C@@H]1CNCCO1.CC(C)C[C@H](C)O.CC(C)C[C@H]1CCN1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1cnc[nH]1.CC(C)Cc1ncc[nH]1.CCCCC(C)C
InChIInChI=1S/C9H13N.C9H19N.2C9H13N.C9H18O.2C9H18.2C8H14N2.C8H17NO.C7H12N2.C7H14N2.C7H12N2.2C7H15N.C7H17N.C7H16.C6H14O.C5H12O.3C2H6/c1-8(2)7-9-3-5-10-6-4-9;1-9(2)5-8-10-6-3-4-7-10;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)6-9-4-3-5-10-7-9;2*1-8(2)7-9-5-3-4-6-9;1-7(2)3-4-8-5-9-6-10-8;1-7(2)3-4-8-9-5-6-10-8;1-7(2)5-8-6-9-3-4-10-8;1-6(2)3-7-4-8-5-9-7;2*1-6(2)5-7-8-3-4-9-7;2*1-6(2)5-7-3-4-8-7;1-7(2)5-6-8(3)4;1-4-5-6-7(2)3;1-5(2)4-6(3)7;1-5(2)3-4-6;3*1-2/h3-6,8H,7H2,1-2H3;9H,3-8H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;2*8-9H,3-7H2,1-2H3;2*5-7H,3-4H2,1-2H3,(H,9,10);7-9H,3-6H2,1-2H3;4-6H,3H2,1-2H3,(H,8,9);6H,3-5H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3,(H,8,9);2*6-8H,3-5H2,1-2H3;7H,5-6H2,1-4H3;7H,4-6H2,1-3H3;5-7H,4H2,1-3H3;5-6H,3-4H2,1-2H3;3*1-2H3/t;;;;9-;;;;;8-;;;;2*7-;;;6-;;;;/m....0....1...10..0..../s1
InChIKeyHFNAHJXZYZNXGA-WELSHETRSA-N
XLogP39.87
TPSA279.27 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds43
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002458.22
LogP ≤ 539.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze ethane;3-methylbutan-1-ol;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(2S)-4-methylpentan-2-ol;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine with MolForge

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Related Compounds

3-Methyl-5-[1-(6-morpholin-4-ylspiro[3.3]heptan-2-yl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;2-methyl-5-[1-[2-(oxan-4-yl)ethyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(oxan-4-ylmethyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;2-methyl-5-[1-[1-(oxetan-3-yl)pyrrolidin-3-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;4-[3-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclobutyl]morpholine;4-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]cyclohexan-1-ol;4-[2-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]spiro[3.3]heptan-6-yl]morpholine
CID 158391324
5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;5-[1-cyclopropyl-2-(cyclopropylmethyl)imidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;8-cyclopropyl-2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;bis((1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]bicyclo[3.1.0]hexan-3-ol);(1R,5S)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazol-1-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
CID 159162515
4-tert-butylmorpholine;N,N-diethyl-5-methylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-ylpyrazin-2-amine;4-(5-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-yl-5-pyrrolidin-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine
CID 157378633
N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);3-(6-propan-2-yl-3-pyridinyl)cyclobutan-1-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3R)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine
CID 157389332
1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole
CID 157408553
1-[[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]amino]propan-2-ol;(2S)-1-[[4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]amino]propan-2-ol;(2S)-1-[[4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]amino]propan-2-ol
CID 157436254
N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3R)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine
CID 157665787
8-[6-(2-Aminopyrimidin-5-yl)-2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol;5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]pyrimidin-2-amine;5-[2,6-bis(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]pyrimidin-2-amine;5-[2-(3-methylazetidin-1-yl)-6-[1-(oxetan-3-yl)piperidin-4-yl]pyrimidin-4-yl]pyrimidin-2-amine
CID 158236156
methane;tris(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-ylpyrrolidine
CID 158239263
5-[(6S)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(3-fluoroazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol;5-[4-[2-(methoxymethyl)pyrrolidin-1-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 158299469
tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-2-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;(1S)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;(1R)-3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;3-(6-propan-2-yl-3-pyridinyl)cyclopentan-1-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine
CID 158385637
2-(Azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;5-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;bis(2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine);2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 158398774

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylbutan-1-ol;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(2S)-4-methylpentan-2-ol;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine?
The IUPAC name of ethane;3-methylbutan-1-ol;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(2S)-4-methylpentan-2-ol;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine (CID 158463920) is ethane;3-methylbutan-1-ol;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(2S)-4-methylpentan-2-ol;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine.
What is the SMILES notation for ethane;3-methylbutan-1-ol;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(2S)-4-methylpentan-2-ol;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine?
The canonical SMILES for ethane;3-methylbutan-1-ol;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(2S)-4-methylpentan-2-ol;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine is CC.CC.CC.CC(C)CC1=NCCN1.CC(C)CC1CCCC1.CC(C)CC1CCCC1.CC(C)CCN(C)C.CC(C)CCN1CCCC1.CC(C)CCO.CC(C)CCc1cnc[nH]1.CC(C)CCc1ncc[nH]1.CC(C)C[C@@H]1CCCOC1.CC(C)C[C@@H]1CCN1.CC(C)C[C@@H]1CNCCO1.CC(C)C[C@H](C)O.CC(C)C[C@H]1CCN1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1cnc[nH]1.CC(C)Cc1ncc[nH]1.CCCCC(C)C.
What is the InChIKey of ethane;3-methylbutan-1-ol;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(2S)-4-methylpentan-2-ol;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine?
The InChIKey is HFNAHJXZYZNXGA-WELSHETRSA-N. The full InChI is InChI=1S/C9H13N.C9H19N.2C9H13N.C9H18O.2C9H18.2C8H14N2.C8H17NO.C7H12N2.C7H14N2.C7H12N2.2C7H15N.C7H17N.C7H16.C6H14O.C5H12O.3C2H6/c1-8(2)7-9-3-5-10-6-4-9;1-9(2)5-8-10-6-3-4-7-10;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)6-9-4-3-5-10-7-9;2*1-8(2)7-9-5-3-4-6-9;1-7(2)3-4-8-5-9-6-10-8;1-7(2)3-4-8-9-5-6-10-8;1-7(2)5-8-6-9-3-4-10-8;1-6(2)3-7-4-8-5-9-7;2*1-6(2)5-7-8-3-4-9-7;2*1-6(2)5-7-3-4-8-7;1-7(2)5-6-8(3)4;1-4-5-6-7(2)3;1-5(2)4-6(3)7;1-5(2)3-4-6;3*1-2/h3-6,8H,7H2,1-2H3;9H,3-8H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;2*8-9H,3-7H2,1-2H3;2*5-7H,3-4H2,1-2H3,(H,9,10);7-9H,3-6H2,1-2H3;4-6H,3H2,1-2H3,(H,8,9);6H,3-5H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3,(H,8,9);2*6-8H,3-5H2,1-2H3;7H,5-6H2,1-4H3;7H,4-6H2,1-3H3;5-7H,4H2,1-3H3;5-6H,3-4H2,1-2H3;3*1-2H3/t;;;;9-;;;;;8-;;;;2*7-;;;6-;;;;/m....0....1...10..0..../s1.
What are the key properties of ethane;3-methylbutan-1-ol;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(2S)-4-methylpentan-2-ol;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine?
ethane;3-methylbutan-1-ol;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(2S)-4-methylpentan-2-ol;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine has a molecular weight of 2458.22 g/mol, XLogP of 39.87, 43 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylbutan-1-ol;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(2S)-4-methylpentan-2-ol;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;N,N,3-trimethylbutan-1-amine is sourced from PubChem (CID 158463920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).