ethane;3-ethyl-1-methylpiperidine;iodomethane;iodozinc(1+);methane;3-methanidyl-1-methylpiperidine;zinc

C21H50I2N2Zn2 — CID 159241397

IUPACethane;3-ethyl-1-methylpiperidine;iodomethane;iodozinc(1+);methane;3-methanidyl-1-methylpiperidine;zinc
SMILESC.CC.CC.CCC1CCCN(C)C1.CI.[CH2-]C1CCCN(C)C1.[Zn+]I.[Zn]
InChIInChI=1S/C8H17N.C7H14N.2C2H6.CH3I.CH4.HI.2Zn/c1-3-8-5-4-6-9(2)7-8;1-7-4-3-5-8(2)6-7;3*1-2;;;;/h8H,3-7H2,1-2H3;7H,1,3-6H2,2H3;2*1-2H3;1H3;1H4;1H;;/q;-1;;;;;;;+2/p-1
InChIKeyKUDJFELXKUIEQM-UHFFFAOYSA-M
MW715.23 g/mol
LogP7.52
Rot. Bonds1

About ethane;3-ethyl-1-methylpiperidine;iodomethane;iodozinc(1+);methane;3-methanidyl-1-methylpiperidine;zinc

ethane;3-ethyl-1-methylpiperidine;iodomethane;iodozinc(1+);methane;3-methanidyl-1-methylpiperidine;zinc (PubChem CID 159241397) has the molecular formula C21H50I2N2Zn2 and a molecular weight of 715.23 g/mol. Its IUPAC name is ethane;3-ethyl-1-methylpiperidine;iodomethane;iodozinc(1+);methane;3-methanidyl-1-methylpiperidine;zinc.

Molecular Properties

Compound Nameethane;3-ethyl-1-methylpiperidine;iodomethane;iodozinc(1+);methane;3-methanidyl-1-methylpiperidine;zinc
PubChem CID159241397
Molecular FormulaC21H50I2N2Zn2
Molecular Weight715.23 g/mol
Exact Mass712.06
IUPAC Nameethane;3-ethyl-1-methylpiperidine;iodomethane;iodozinc(1+);methane;3-methanidyl-1-methylpiperidine;zinc
SMILESC.CC.CC.CCC1CCCN(C)C1.CI.[CH2-]C1CCCN(C)C1.[Zn+]I.[Zn]
InChIInChI=1S/C8H17N.C7H14N.2C2H6.CH3I.CH4.HI.2Zn/c1-3-8-5-4-6-9(2)7-8;1-7-4-3-5-8(2)6-7;3*1-2;;;;/h8H,3-7H2,1-2H3;7H,1,3-6H2,2H3;2*1-2H3;1H3;1H4;1H;;/q;-1;;;;;;;+2/p-1
InChIKeyKUDJFELXKUIEQM-UHFFFAOYSA-M
XLogP7.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.23
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-ethyl-1-methylpiperidine
CID 142833851
3-ethyl-1-methylpyrrolidine;methane
CID 161184146
bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine
CID 161292212
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659
3-ethyl-1,5-dimethylazocane
CID 178124783
6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113
N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane
CID 142888421
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
methyl (1-methylpiperidin-3-yl)methanesulfonate
CID 175223717
3-butyl-1-methylpiperidine;hydrofluoride
CID 175875067
(3R)-1-methyl-3-pentylpiperidine
CID 143571155

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-1-methylpiperidine;iodomethane;iodozinc(1+);methane;3-methanidyl-1-methylpiperidine;zinc?
The IUPAC name of ethane;3-ethyl-1-methylpiperidine;iodomethane;iodozinc(1+);methane;3-methanidyl-1-methylpiperidine;zinc (CID 159241397) is ethane;3-ethyl-1-methylpiperidine;iodomethane;iodozinc(1+);methane;3-methanidyl-1-methylpiperidine;zinc.
What is the SMILES notation for ethane;3-ethyl-1-methylpiperidine;iodomethane;iodozinc(1+);methane;3-methanidyl-1-methylpiperidine;zinc?
The canonical SMILES for ethane;3-ethyl-1-methylpiperidine;iodomethane;iodozinc(1+);methane;3-methanidyl-1-methylpiperidine;zinc is C.CC.CC.CCC1CCCN(C)C1.CI.[CH2-]C1CCCN(C)C1.[Zn+]I.[Zn].
What is the InChIKey of ethane;3-ethyl-1-methylpiperidine;iodomethane;iodozinc(1+);methane;3-methanidyl-1-methylpiperidine;zinc?
The InChIKey is KUDJFELXKUIEQM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17N.C7H14N.2C2H6.CH3I.CH4.HI.2Zn/c1-3-8-5-4-6-9(2)7-8;1-7-4-3-5-8(2)6-7;3*1-2;;;;/h8H,3-7H2,1-2H3;7H,1,3-6H2,2H3;2*1-2H3;1H3;1H4;1H;;/q;-1;;;;;;;+2/p-1.
What are the key properties of ethane;3-ethyl-1-methylpiperidine;iodomethane;iodozinc(1+);methane;3-methanidyl-1-methylpiperidine;zinc?
ethane;3-ethyl-1-methylpiperidine;iodomethane;iodozinc(1+);methane;3-methanidyl-1-methylpiperidine;zinc has a molecular weight of 715.23 g/mol, XLogP of 7.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-1-methylpiperidine;iodomethane;iodozinc(1+);methane;3-methanidyl-1-methylpiperidine;zinc is sourced from PubChem (CID 159241397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).