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

C126H262N14O3 — CID 158239263

IUPACmethane;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
SMILESC.C.C.C.C.C.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCNC1.CC(C)C1CNCCO1.CC(C)C1COCCN1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1ccc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)n1cccc1
InChIInChI=1S/3C9H18.2C8H17N.2C8H16.C7H16N2.3C7H15NO.C7H15N.2C7H11N.2C6H10N2.6CH4/c3*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-9-4-3-8-7;1-6(2)7-5-8-3-4-9-7;2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;;;;;;/h3*8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;2*3-5H,1-2H3,(H,7,8);6*1H4
InChIKeyGFIQYTBWXUZLGL-UHFFFAOYSA-N
MW2021.58 g/mol
LogP33.73
Rot. Bonds16

About 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

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 (PubChem CID 158239263) has the molecular formula C126H262N14O3 and a molecular weight of 2021.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethane;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
PubChem CID158239263
Molecular FormulaC126H262N14O3
Molecular Weight2021.58 g/mol
Exact Mass2020.08
IUPAC Namemethane;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
SMILESC.C.C.C.C.C.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCNC1.CC(C)C1CNCCO1.CC(C)C1COCCN1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1ccc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)n1cccc1
InChIInChI=1S/3C9H18.2C8H17N.2C8H16.C7H16N2.3C7H15NO.C7H15N.2C7H11N.2C6H10N2.6CH4/c3*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-9-4-3-8-7;1-6(2)7-5-8-3-4-9-7;2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;;;;;;/h3*8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;2*3-5H,1-2H3,(H,7,8);6*1H4
InChIKeyGFIQYTBWXUZLGL-UHFFFAOYSA-N
XLogP33.73
TPSA166.85 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002021.58
LogP ≤ 533.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

2-Tert-butyl-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;3-tert-butyl-9-imidazol-1-yl-3-azaspiro[5.5]undecane;3-tert-butyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane;2-tert-butyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-pyridin-3-yl-2-azaspiro[4.5]decane;2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane
CID 158051580
(1R,5S)-3-ethyl-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pentan-3-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;tris(4-[(1S,5R)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-bicyclo[3.1.0]hexanyl]morpholine)
CID 158051648
2-[[(2S)-butan-2-yl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(cyanomethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(cyclopropylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(3-imidazol-1-ylpropylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(3S)-oxolan-3-yl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 158759777
5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopropylimidazol-4-yl]-3-methylpyridin-2-amine;bis(5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane
CID 160777806
4-[2-(3-aminopropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-[2-(dimethylamino)ethyl]-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-[3-(dimethylamino)propyl]-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[3-methyl-2-[3-(methylamino)propyl]-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[3-methyl-2-(morpholin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 161573385
(Cryptand-222)potassium (2-methylimidazolato)(meso-tetraphenylporphinato)ferrate(II)-2-methylimidazole-tetrahydrofuran (1/1/2)
CID 139062533
[Fe(TPP)(4-MeHIm)~2~]2(K(222)Cl)
CID 139067894
4-(2-Phenylimidazo[1,2-a]pyridin-3-yl)morpholine
CID 139095137
(3S)-4-[8-[3-[1-[2,6-dimorpholin-4-yl-8-(1H-pyrrolo[3,2-b]pyridin-6-yl)purin-9-yl]ethyl]phenyl]-2-morpholin-4-yl-7H-purin-6-yl]-3-methylmorpholine
CID 68297114
(3S)-4-[8-(3-ethylphenyl)-2-morpholin-4-yl-7H-purin-6-yl]-3-methylmorpholine;4-[2-morpholin-4-yl-8-(1H-pyrrolo[3,2-b]pyridin-6-yl)-7H-purin-6-yl]morpholine
CID 68297115
4-[6-(1H-indol-4-yl)-9-[1-[4-[9-(3-methylbutan-2-yl)-2-morpholin-4-ylpurin-6-yl]indol-1-yl]propan-2-yl]purin-2-yl]morpholine
CID 143785460
5-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;5-(1H-benzimidazol-2-yl)-7-methyl-N-[(4-methyloxolan-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 144135949

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.C.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCNC1.CC(C)C1CNCCO1.CC(C)C1COCCN1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1ccc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)n1cccc1.
What is the InChIKey of 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?
The InChIKey is GFIQYTBWXUZLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H18.2C8H17N.2C8H16.C7H16N2.3C7H15NO.C7H15N.2C7H11N.2C6H10N2.6CH4/c3*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-9-4-3-8-7;1-6(2)7-5-8-3-4-9-7;2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;;;;;;/h3*8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;2*3-5H,1-2H3,(H,7,8);6*1H4.
What are the key properties of 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?
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 has a molecular weight of 2021.58 g/mol, XLogP of 33.73, 16 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158239263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).