ethane;methyl formate;(2S)-2-methylpiperidine

C10H23NO2 — CID 162751563

IUPACethane;methyl formate;(2S)-2-methylpiperidine
SMILESCC.COC=O.C[C@H]1CCCCN1
InChIInChI=1S/C6H13N.C2H4O2.C2H6/c1-6-4-2-3-5-7-6;1-4-2-3;1-2/h6-7H,2-5H2,1H3;2H,1H3;1-2H3/t6-;;/m0../s1
InChIKeyYFXYZNGNJRKBQH-ILKKLZGPSA-N
MW189.30 g/mol
LogP1.96
Rot. Bonds1

About ethane;methyl formate;(2S)-2-methylpiperidine

ethane;methyl formate;(2S)-2-methylpiperidine (PubChem CID 162751563) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is ethane;methyl formate;(2S)-2-methylpiperidine.

Molecular Properties

Compound Nameethane;methyl formate;(2S)-2-methylpiperidine
PubChem CID162751563
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Nameethane;methyl formate;(2S)-2-methylpiperidine
SMILESCC.COC=O.C[C@H]1CCCCN1
InChIInChI=1S/C6H13N.C2H4O2.C2H6/c1-6-4-2-3-5-7-6;1-4-2-3;1-2/h6-7H,2-5H2,1H3;2H,1H3;1-2H3/t6-;;/m0../s1
InChIKeyYFXYZNGNJRKBQH-ILKKLZGPSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl formate;2-methylpyrrolidine;propane
CID 143024977
2-methylpiperidine
CID 7974
methane;2-methylpiperidine
CID 159247179
(2S)-2-methylazocane
CID 137404038
(2S)-2-methylpiperidine;(2S)-2-methylpyrrolidine
CID 164977059
(2R)-2-methylazonane
CID 89251055
formic acid;(2R)-2-methylpyrrolidine
CID 143602308
2-methylpyrrolidine
CID 13003
2-methylpyrrolidine
CID 142041388
methyl formate;pyrrolidine
CID 142871374
2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine
CID 21041485
2-piperidin-2-ylpropan-2-yl formate
CID 18700209

Frequently Asked Questions

What is the IUPAC name of ethane;methyl formate;(2S)-2-methylpiperidine?
The IUPAC name of ethane;methyl formate;(2S)-2-methylpiperidine (CID 162751563) is ethane;methyl formate;(2S)-2-methylpiperidine.
What is the SMILES notation for ethane;methyl formate;(2S)-2-methylpiperidine?
The canonical SMILES for ethane;methyl formate;(2S)-2-methylpiperidine is CC.COC=O.C[C@H]1CCCCN1.
What is the InChIKey of ethane;methyl formate;(2S)-2-methylpiperidine?
The InChIKey is YFXYZNGNJRKBQH-ILKKLZGPSA-N. The full InChI is InChI=1S/C6H13N.C2H4O2.C2H6/c1-6-4-2-3-5-7-6;1-4-2-3;1-2/h6-7H,2-5H2,1H3;2H,1H3;1-2H3/t6-;;/m0../s1.
What are the key properties of ethane;methyl formate;(2S)-2-methylpiperidine?
ethane;methyl formate;(2S)-2-methylpiperidine has a molecular weight of 189.30 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl formate;(2S)-2-methylpiperidine is sourced from PubChem (CID 162751563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).