deuterium monohydride;ethane;methane;2-methylpropane;2-methyl-1-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole

C36H81N5 — CID 158768890

IUPACdeuterium monohydride;ethane;methane;2-methylpropane;2-methyl-1-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole
SMILESC.C.CC.CC.CC.CC.CC(C)C.CC(C)c1cccn1C.CC(C)c1ccnn1C.Cc1nccn1C(C)C.[H][2H]
InChIInChI=1S/C8H13N.2C7H12N2.C4H10.4C2H6.2CH4.H2/c1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-5-8-9(7)3;1-6(2)9-5-4-8-7(9)3;1-4(2)3;4*1-2;;;/h4-7H,1-3H3;2*4-6H,1-3H3;4H,1-3H3;4*1-2H3;2*1H4;1H/i;;;;;;;;;;1+1
InChIKeyIPPROACGSQFRPI-PSZXADNCSA-N
MW585.09 g/mol
LogP12.75
Rot. Bonds3

About deuterium monohydride;ethane;methane;2-methylpropane;2-methyl-1-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole

deuterium monohydride;ethane;methane;2-methylpropane;2-methyl-1-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole (PubChem CID 158768890) has the molecular formula C36H81N5 and a molecular weight of 585.09 g/mol. Its IUPAC name is deuterium monohydride;ethane;methane;2-methylpropane;2-methyl-1-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole.

Molecular Properties

Compound Namedeuterium monohydride;ethane;methane;2-methylpropane;2-methyl-1-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole
PubChem CID158768890
Molecular FormulaC36H81N5
Molecular Weight585.09 g/mol
Exact Mass584.66
IUPAC Namedeuterium monohydride;ethane;methane;2-methylpropane;2-methyl-1-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole
SMILESC.C.CC.CC.CC.CC.CC(C)C.CC(C)c1cccn1C.CC(C)c1ccnn1C.Cc1nccn1C(C)C.[H][2H]
InChIInChI=1S/C8H13N.2C7H12N2.C4H10.4C2H6.2CH4.H2/c1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-5-8-9(7)3;1-6(2)9-5-4-8-7(9)3;1-4(2)3;4*1-2;;;/h4-7H,1-3H3;2*4-6H,1-3H3;4H,1-3H3;4*1-2H3;2*1H4;1H/i;;;;;;;;;;1+1
InChIKeyIPPROACGSQFRPI-PSZXADNCSA-N
XLogP12.75
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.09
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze deuterium monohydride;ethane;methane;2-methylpropane;2-methyl-1-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole with MolForge

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Related Compounds

2-phenyl-1-propan-2-ylimidazole
CID 12997870
2-methyl-1-[(1R)-1-phenylethyl]imidazole
CID 76960079
2-(2-methylimidazol-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 106757565
(2S)-2-(2-methylpyrazol-3-yl)propan-1-ol
CID 177004223
methane;8-propan-2-ylimidazo[1,2-b]pyridazine;bis(7-propan-2-ylpyrazolo[1,5-a]pyrimidine)
CID 158768927
1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine
CID 177189575
1-(1-methylpyrrol-2-yl)ethanethiol
CID 170267001
3-methyl-2-(2-methylimidazol-1-yl)-1-phenylbutan-1-amine
CID 16784760
ethane;1-methyl-2-phenylimidazole
CID 142155183
4-(2-methylimidazol-1-yl)pentanoic acid
CID 62214885
tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium
CID 173068105
(2-methylpyrazol-3-yl)-(2-methyl-3-pyridinyl)methanamine
CID 105148585

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;ethane;methane;2-methylpropane;2-methyl-1-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole?
The IUPAC name of deuterium monohydride;ethane;methane;2-methylpropane;2-methyl-1-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole (CID 158768890) is deuterium monohydride;ethane;methane;2-methylpropane;2-methyl-1-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole.
What is the SMILES notation for deuterium monohydride;ethane;methane;2-methylpropane;2-methyl-1-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole?
The canonical SMILES for deuterium monohydride;ethane;methane;2-methylpropane;2-methyl-1-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole is C.C.CC.CC.CC.CC.CC(C)C.CC(C)c1cccn1C.CC(C)c1ccnn1C.Cc1nccn1C(C)C.[H][2H].
What is the InChIKey of deuterium monohydride;ethane;methane;2-methylpropane;2-methyl-1-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole?
The InChIKey is IPPROACGSQFRPI-PSZXADNCSA-N. The full InChI is InChI=1S/C8H13N.2C7H12N2.C4H10.4C2H6.2CH4.H2/c1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-5-8-9(7)3;1-6(2)9-5-4-8-7(9)3;1-4(2)3;4*1-2;;;/h4-7H,1-3H3;2*4-6H,1-3H3;4H,1-3H3;4*1-2H3;2*1H4;1H/i;;;;;;;;;;1+1.
What are the key properties of deuterium monohydride;ethane;methane;2-methylpropane;2-methyl-1-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole?
deuterium monohydride;ethane;methane;2-methylpropane;2-methyl-1-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole has a molecular weight of 585.09 g/mol, XLogP of 12.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;ethane;methane;2-methylpropane;2-methyl-1-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole is sourced from PubChem (CID 158768890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).