cumene;ethane;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine

C117H190N3O-3 — CID 161415023

IUPACcumene;ethane;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine
SMILESC=C1C=CC=C[CH-]1.CC.CC.CC(C)C1=CCC=C1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.[CH2-]C1CC1.[CH2-]C1CCCC1
InChIInChI=1S/C9H18.4C9H12.C8H11N.C8H16.C8H12.C7H12N2.C7H10O.C7H14.C7H7.C6H12.C6H11.C4H7.2C2H6/c5*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-7-5-3-2-4-6-7;1-5(2)6-3-4-6;1-6-4-2-3-5-6;1-4-2-3-4;2*1-2/h8-9H,3-7H2,1-2H3;4*3-8H,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;3,5-7H,4H2,1-2H3;4-6H,1-3H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;2-6H,1H2;5-6H,3-4H2,1-2H3;6H,1-5H2;4H,1-3H2;2*1-2H3/q;;;;;;;;;;;-1;;2*-1;;
InChIKeyVVYUZPZOWOLMPF-UHFFFAOYSA-N
MW1654.83 g/mol
LogP37.64
Rot. Bonds12

About cumene;ethane;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine

cumene;ethane;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine (PubChem CID 161415023) has the molecular formula C117H190N3O-3 and a molecular weight of 1654.83 g/mol. Its IUPAC name is cumene;ethane;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine.

Molecular Properties

Compound Namecumene;ethane;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine
PubChem CID161415023
Molecular FormulaC117H190N3O-3
Molecular Weight1654.83 g/mol
Exact Mass1653.49
IUPAC Namecumene;ethane;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine
SMILESC=C1C=CC=C[CH-]1.CC.CC.CC(C)C1=CCC=C1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.[CH2-]C1CC1.[CH2-]C1CCCC1
InChIInChI=1S/C9H18.4C9H12.C8H11N.C8H16.C8H12.C7H12N2.C7H10O.C7H14.C7H7.C6H12.C6H11.C4H7.2C2H6/c5*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-7-5-3-2-4-6-7;1-5(2)6-3-4-6;1-6-4-2-3-5-6;1-4-2-3-4;2*1-2/h8-9H,3-7H2,1-2H3;4*3-8H,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;3,5-7H,4H2,1-2H3;4-6H,1-3H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;2-6H,1H2;5-6H,3-4H2,1-2H3;6H,1-5H2;4H,1-3H2;2*1-2H3/q;;;;;;;;;;;-1;;2*-1;;
InChIKeyVVYUZPZOWOLMPF-UHFFFAOYSA-N
XLogP37.64
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001654.83
LogP ≤ 537.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze cumene;ethane;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

5-(2-furyl)-1',2-diphenyl-3'-(3-pyridinyl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole
CID 2875997
8-(Furan-2-yl)-5,9-diphenyl-2-[4-(3-phenylphenyl)phenyl]-1-pyridin-2-ylpyrazolo[5,1-a]isoquinoline
CID 90297748
bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine
CID 157480971
Cumene;2-methylpropane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;pyridine
CID 157768641
Cumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine
CID 157977783
Cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine
CID 158159482
bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;bis(3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one);1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 158427065
methane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole
CID 158438162
1,3-Dimethyl-4-propan-2-ylpyrazole;ethane;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane
CID 158454310
Bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine
CID 158505683
Cumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine
CID 158508591
1-Chloro-2-(3-methylbutyl)benzene;2-(3-methylbutyl)furan;2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;pentakis(1-methyl-3-(3-methylbutyl)benzene);1-methyl-3-(3-methylbutyl)pyrazole
CID 158513293

Frequently Asked Questions

What is the IUPAC name of cumene;ethane;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine?
The IUPAC name of cumene;ethane;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine (CID 161415023) is cumene;ethane;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine.
What is the SMILES notation for cumene;ethane;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine?
The canonical SMILES for cumene;ethane;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine is C=C1C=CC=C[CH-]1.CC.CC.CC(C)C1=CCC=C1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.[CH2-]C1CC1.[CH2-]C1CCCC1.
What is the InChIKey of cumene;ethane;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine?
The InChIKey is VVYUZPZOWOLMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.4C9H12.C8H11N.C8H16.C8H12.C7H12N2.C7H10O.C7H14.C7H7.C6H12.C6H11.C4H7.2C2H6/c5*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-7-5-3-2-4-6-7;1-5(2)6-3-4-6;1-6-4-2-3-5-6;1-4-2-3-4;2*1-2/h8-9H,3-7H2,1-2H3;4*3-8H,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;3,5-7H,4H2,1-2H3;4-6H,1-3H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;2-6H,1H2;5-6H,3-4H2,1-2H3;6H,1-5H2;4H,1-3H2;2*1-2H3/q;;;;;;;;;;;-1;;2*-1;;.
What are the key properties of cumene;ethane;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine?
cumene;ethane;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine has a molecular weight of 1654.83 g/mol, XLogP of 37.64, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;propan-2-ylcyclohexane;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine is sourced from PubChem (CID 161415023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).