cumene;ethane;methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylpiperidin-1-ide;tungsten

C37H73N4W- — CID 161253702

IUPACcumene;ethane;methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylpiperidin-1-ide;tungsten
SMILESC.CC.CC(C)C1=CCN(C)CC1.CC(C)C1CC[N-]CC1.CC(C)N1CCN(C)CC1.CC(C)c1ccccc1.[W]
InChIInChI=1S/C9H17N.C9H12.C8H18N2.C8H16N.C2H6.CH4.W/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-2;;/h4,8H,5-7H2,1-3H3;3-8H,1-2H3;8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3;1-2H3;1H4;/q;;;-1;;;
InChIKeyIATPEGJISATSBP-UHFFFAOYSA-N
MW757.86 g/mol
LogP9.44
Rot. Bonds4

About cumene;ethane;methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylpiperidin-1-ide;tungsten

cumene;ethane;methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylpiperidin-1-ide;tungsten (PubChem CID 161253702) has the molecular formula C37H73N4W- and a molecular weight of 757.86 g/mol. Its IUPAC name is cumene;ethane;methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylpiperidin-1-ide;tungsten.

Molecular Properties

Compound Namecumene;ethane;methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylpiperidin-1-ide;tungsten
PubChem CID161253702
Molecular FormulaC37H73N4W-
Molecular Weight757.86 g/mol
Exact Mass757.54
IUPAC Namecumene;ethane;methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylpiperidin-1-ide;tungsten
SMILESC.CC.CC(C)C1=CCN(C)CC1.CC(C)C1CC[N-]CC1.CC(C)N1CCN(C)CC1.CC(C)c1ccccc1.[W]
InChIInChI=1S/C9H17N.C9H12.C8H18N2.C8H16N.C2H6.CH4.W/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-2;;/h4,8H,5-7H2,1-3H3;3-8H,1-2H3;8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3;1-2H3;1H4;/q;;;-1;;;
InChIKeyIATPEGJISATSBP-UHFFFAOYSA-N
XLogP9.44
TPSA23.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.86
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cumene;ethane;methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylpiperidin-1-ide;tungsten with MolForge

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Launch Full Analysis

Related Compounds

methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine
CID 159354677
1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine
CID 159802692
cumene;methane;1-methylpiperidine
CID 177007302
1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrole;1,3-di(propan-2-yl)pyrrolidine;methane
CID 159580515
1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine
CID 162361422
1-benzhydryl-4-methylpiperazine
CID 6726
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine
CID 24842055
cumene;2,3-dimethylbutane;propan-2-ylcyclopropane;2-propan-2-ylthiophene
CID 159329708
trans-(3R,6S)-3-methyl-2-[(4-methylpiperazin-1-yl)-phenylmethyl]-6-propan-2-ylcyclohexan-1-ol
CID 10246930
methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane
CID 158315052
1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 170629653

Frequently Asked Questions

What is the IUPAC name of cumene;ethane;methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylpiperidin-1-ide;tungsten?
The IUPAC name of cumene;ethane;methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylpiperidin-1-ide;tungsten (CID 161253702) is cumene;ethane;methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylpiperidin-1-ide;tungsten.
What is the SMILES notation for cumene;ethane;methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylpiperidin-1-ide;tungsten?
The canonical SMILES for cumene;ethane;methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylpiperidin-1-ide;tungsten is C.CC.CC(C)C1=CCN(C)CC1.CC(C)C1CC[N-]CC1.CC(C)N1CCN(C)CC1.CC(C)c1ccccc1.[W].
What is the InChIKey of cumene;ethane;methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylpiperidin-1-ide;tungsten?
The InChIKey is IATPEGJISATSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C9H12.C8H18N2.C8H16N.C2H6.CH4.W/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-2;;/h4,8H,5-7H2,1-3H3;3-8H,1-2H3;8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3;1-2H3;1H4;/q;;;-1;;;.
What are the key properties of cumene;ethane;methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylpiperidin-1-ide;tungsten?
cumene;ethane;methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylpiperidin-1-ide;tungsten has a molecular weight of 757.86 g/mol, XLogP of 9.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane;methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylpiperidin-1-ide;tungsten is sourced from PubChem (CID 161253702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).