ethane;ethyl iodite;4-methylpiperidine

C10H24INO2 — CID 143786108

IUPACethane;ethyl iodite;4-methylpiperidine
SMILESCC.CC1CCNCC1.CCO[I+][O-]
InChIInChI=1S/C6H13N.C2H5IO2.C2H6/c1-6-2-4-7-5-3-6;1-2-5-3-4;1-2/h6-7H,2-5H2,1H3;2H2,1H3;1-2H3
InChIKeyLOBZNNJNHUAATO-UHFFFAOYSA-N
MW317.21 g/mol
LogP-1.67
Rot. Bonds2

About ethane;ethyl iodite;4-methylpiperidine

ethane;ethyl iodite;4-methylpiperidine (PubChem CID 143786108) has the molecular formula C10H24INO2 and a molecular weight of 317.21 g/mol. Its IUPAC name is ethane;ethyl iodite;4-methylpiperidine.

Molecular Properties

Compound Nameethane;ethyl iodite;4-methylpiperidine
PubChem CID143786108
Molecular FormulaC10H24INO2
Molecular Weight317.21 g/mol
Exact Mass317.09
IUPAC Nameethane;ethyl iodite;4-methylpiperidine
SMILESCC.CC1CCNCC1.CCO[I+][O-]
InChIInChI=1S/C6H13N.C2H5IO2.C2H6/c1-6-2-4-7-5-3-6;1-2-5-3-4;1-2/h6-7H,2-5H2,1H3;2H2,1H3;1-2H3
InChIKeyLOBZNNJNHUAATO-UHFFFAOYSA-N
XLogP-1.67
TPSA44.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethene;4-methylpiperidine
CID 143316942
cyclopentane;4-methylpiperidine
CID 143138909
ethane;4-methylpiperidine;piperidine
CID 143189861
4-methylpiperidine;nitroxyl
CID 174726440
dimethoxysilane;4-methylpiperidine
CID 175042684
ethane;1-methylpiperazine;4-methylpiperidine
CID 145158402
ethane;1-methylpiperazine;4-methylpiperidine
CID 166533562
4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one
CID 90894414
ethane;N-ethylethanimine;N-methylethenamine;4-methylpiperidine
CID 169104175
ethane;1-ethoxy-4-methylcyclohexane
CID 145107105
ethane;methanol;3-methylpyrrolidine
CID 143573656
2,5-dimethylcyclohepta-1,3,5-triene;ethane;4-methylpiperidine
CID 142973103

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl iodite;4-methylpiperidine?
The IUPAC name of ethane;ethyl iodite;4-methylpiperidine (CID 143786108) is ethane;ethyl iodite;4-methylpiperidine.
What is the SMILES notation for ethane;ethyl iodite;4-methylpiperidine?
The canonical SMILES for ethane;ethyl iodite;4-methylpiperidine is CC.CC1CCNCC1.CCO[I+][O-].
What is the InChIKey of ethane;ethyl iodite;4-methylpiperidine?
The InChIKey is LOBZNNJNHUAATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C2H5IO2.C2H6/c1-6-2-4-7-5-3-6;1-2-5-3-4;1-2/h6-7H,2-5H2,1H3;2H2,1H3;1-2H3.
What are the key properties of ethane;ethyl iodite;4-methylpiperidine?
ethane;ethyl iodite;4-methylpiperidine has a molecular weight of 317.21 g/mol, XLogP of -1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl iodite;4-methylpiperidine is sourced from PubChem (CID 143786108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).