3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one

C118H188N8O8 — CID 157298994

IUPAC3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCC(C)CC(=O)N1CCCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCNCC1.CC(C)CC(=O)N1CCOCC1.CC(C)CC(O)c1ccccc1.CC(C)CCc1ccccc1.CC(C)C[C@@H](O)c1ccccc1.CC(C)C[C@H](O)c1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1
InChIInChI=1S/3C11H16O.C11H16.C10H19NO.C10H14.C9H18N2O.C9H17NO2.C9H17NO.3C9H13N/c3*1-9(2)8-11(12)10-6-4-3-5-7-10;1-10(2)8-9-11-6-4-3-5-7-11;1-9(2)8-10(12)11-6-4-3-5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9(12)11-5-3-10-4-6-11;1-8(2)7-9(11)10-3-5-12-6-4-10;1-8(2)7-9(11)10-5-3-4-6-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9/h3*3-7,9,11-12H,8H2,1-2H3;3-7,10H,8-9H2,1-2H3;9H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;8,10H,3-7H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3/t2*11-;;;;;;;;;;/m10........../s1
InChIKeyBBRCWZPTYMNHCD-XMBNETSYSA-N
MW1846.85 g/mol
LogP26.35
Rot. Bonds28

About 3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one

3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 157298994) has the molecular formula C118H188N8O8 and a molecular weight of 1846.85 g/mol. Its IUPAC name is 3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one
PubChem CID157298994
Molecular FormulaC118H188N8O8
Molecular Weight1846.85 g/mol
Exact Mass1845.46
IUPAC Name3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCC(C)CC(=O)N1CCCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCNCC1.CC(C)CC(=O)N1CCOCC1.CC(C)CC(O)c1ccccc1.CC(C)CCc1ccccc1.CC(C)C[C@@H](O)c1ccccc1.CC(C)C[C@H](O)c1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1
InChIInChI=1S/3C11H16O.C11H16.C10H19NO.C10H14.C9H18N2O.C9H17NO2.C9H17NO.3C9H13N/c3*1-9(2)8-11(12)10-6-4-3-5-7-10;1-10(2)8-9-11-6-4-3-5-7-11;1-9(2)8-10(12)11-6-4-3-5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9(12)11-5-3-10-4-6-11;1-8(2)7-9(11)10-3-5-12-6-4-10;1-8(2)7-9(11)10-5-3-4-6-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9/h3*3-7,9,11-12H,8H2,1-2H3;3-7,10H,8-9H2,1-2H3;9H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;8,10H,3-7H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3/t2*11-;;;;;;;;;;/m10........../s1
InChIKeyBBRCWZPTYMNHCD-XMBNETSYSA-N
XLogP26.35
TPSA201.86 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001846.85
LogP ≤ 526.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one with MolForge

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Related Compounds

2-[4-[4-[(4-Ethylpiperazin-1-yl)methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[[4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperazin-1-ylmethyl)phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 157732788
2-[4-[4-[(4-Ethylpiperazin-1-yl)methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanone;1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperidin-4-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperazin-1-ylmethyl)phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 158110061
N-(1-benzylcyclopropyl)-2-methylpropanamide;N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]-2-methylpropanamide;N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;methane;N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide;2-(3-methylbut-1-en-2-ylamino)ethanol;3-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)but-1-en-2-amine;2-methyl-N-(2-phenylethyl)propanamide;1-(2-methylpropyl)pyrrolidin-3-ol;3-methyl-N-(2-pyridin-2-ylethyl)but-1-en-2-amine;bis(2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide);2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 158119787
N-[(1R,2S)-1-[4-[6-(1-amino-2,2,2-trifluoroethyl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide;1-[(4S,5R)-5-[4-[6-(1-amino-2,2,2-trifluoroethyl)-3-pyridinyl]phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]-2,2-difluoroethanone
CID 158781930
N-(1-benzylcyclopropyl)-2-methylpropanamide;N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-2-methylpropanamide;N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide;2-(3-methylbut-1-en-2-ylamino)ethanol;2-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)propanamide;2-methyl-N-(2-phenylethyl)propanamide;1-(2-methylpropyl)pyrrolidin-3-ol;2-methyl-N-(2-pyridin-2-ylethyl)propanamide;2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide;2-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]propanamide;2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 159063016
N-(1-benzylcyclopropyl)-2-methylpropanamide;N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]-2-methylpropanamide;N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one;methane;N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide;2-(3-methylbut-1-en-2-ylamino)ethanol;3-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)but-1-en-2-amine;2-methyl-N-(2-phenylethyl)propanamide;3-methyl-N-(2-pyridin-2-ylethyl)but-1-en-2-amine;bis(2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide);2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 159551903
N-(1-benzylcyclopropyl)-2-methylpropanamide;N-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]-2-methylpropanamide;N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]-2-methylpropanamide;N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;methane;N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide;2-(3-methylbut-1-en-2-ylamino)ethanol;3-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)but-1-en-2-amine;1-(2-methylpropyl)pyrrolidin-3-ol;3-methyl-N-(2-pyridin-2-ylethyl)but-1-en-2-amine;2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide;2-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]propanamide
CID 161395488
N-(1-benzylcyclopropyl)-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]-2-methylpropanamide;N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide;2-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)propanamide;1-(2-methylpropyl)pyrrolidin-3-ol;2-methyl-N-(2-pyridin-2-ylethyl)propanamide;2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide;2-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]propanamide;2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 161429567
N-(1-benzylcyclopropyl)-2-methylpropanamide;N-(2-hydroxyethyl)-2-methylpropanamide;N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]-2-methylpropanamide;N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide;2-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)propanamide;2-methyl-N-(2-phenylethyl)propanamide;1-(2-methylpropyl)pyrrolidin-3-ol;2-methyl-N-(2-pyridin-2-ylethyl)propanamide;2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide;2-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]propanamide;2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 162179025
pyridin-2-ylmethyl N-[2-[[(2S)-1-[[(2S,4S)-3-hydroxy-4-[[(2S)-3-methyl-2-[[2-(pyridin-2-ylmethoxycarbonylamino)acetyl]amino]butanoyl]amino]-1,5-diphenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate
CID 18655614
pyridin-2-ylmethyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[4-[[(2S)-2-amino-3-methylbutanoyl]-(pyridin-2-ylmethoxycarbonyl)amino]-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate
CID 54056833
bis[(2S,3S,5R)-2-[[(2S)-2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoyl]amino]-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-7,7-dimethyl-1-phenyl-6-(4-pyridin-2-ylphenyl)octan-3-yl] carbonate
CID 87388409

Frequently Asked Questions

What is the IUPAC name of 3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one (CID 157298994) is 3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one is CC(C)CC(=O)N1CCCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCNCC1.CC(C)CC(=O)N1CCOCC1.CC(C)CC(O)c1ccccc1.CC(C)CCc1ccccc1.CC(C)C[C@@H](O)c1ccccc1.CC(C)C[C@H](O)c1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.
What is the InChIKey of 3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is BBRCWZPTYMNHCD-XMBNETSYSA-N. The full InChI is InChI=1S/3C11H16O.C11H16.C10H19NO.C10H14.C9H18N2O.C9H17NO2.C9H17NO.3C9H13N/c3*1-9(2)8-11(12)10-6-4-3-5-7-10;1-10(2)8-9-11-6-4-3-5-7-11;1-9(2)8-10(12)11-6-4-3-5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9(12)11-5-3-10-4-6-11;1-8(2)7-9(11)10-3-5-12-6-4-10;1-8(2)7-9(11)10-5-3-4-6-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9/h3*3-7,9,11-12H,8H2,1-2H3;3-7,10H,8-9H2,1-2H3;9H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;8,10H,3-7H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3/t2*11-;;;;;;;;;;/m10........../s1.
What are the key properties of 3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one?
3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 1846.85 g/mol, XLogP of 26.35, 28 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutylbenzene;3-methyl-1-morpholin-4-ylbutan-1-one;(1S)-3-methyl-1-phenylbutan-1-ol;(1R)-3-methyl-1-phenylbutan-1-ol;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;3-methyl-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 157298994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).