ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine

C13H23NO2 — CID 176699176

IUPACethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine
SMILESCC.COCCOc1cc(C(C)C)ccn1
InChIInChI=1S/C11H17NO2.C2H6/c1-9(2)10-4-5-12-11(8-10)14-7-6-13-3;1-2/h4-5,8-9H,6-7H2,1-3H3;1-2H3
InChIKeyHXRBXIJTBCHATK-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.26
Rot. Bonds5

About ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine

ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine (PubChem CID 176699176) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine.

Molecular Properties

Compound Nameethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine
PubChem CID176699176
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine
SMILESCC.COCCOc1cc(C(C)C)ccn1
InChIInChI=1S/C11H17NO2.C2H6/c1-9(2)10-4-5-12-11(8-10)14-7-6-13-3;1-2/h4-5,8-9H,6-7H2,1-3H3;1-2H3
InChIKeyHXRBXIJTBCHATK-UHFFFAOYSA-N
XLogP3.26
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]ethanamine
CID 104562671
2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine
CID 134332018
1-[2-[3-(2-methoxyethoxy)propoxy]-4-pyridinyl]-N-methylethanamine
CID 103402960
4-chloro-2-(2-methoxyethoxy)pyridine
CID 71303293
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-4-amine
CID 104559850
2-(2-methoxyethoxy)pyridine-4-carbaldehyde
CID 145045484
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
(2S)-N-propan-2-yl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine
CID 126654827
(2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine
CID 139545772
N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505619
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethanamine
CID 106447924

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine?
The IUPAC name of ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine (CID 176699176) is ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine.
What is the SMILES notation for ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine?
The canonical SMILES for ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine is CC.COCCOc1cc(C(C)C)ccn1.
What is the InChIKey of ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine?
The InChIKey is HXRBXIJTBCHATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.C2H6/c1-9(2)10-4-5-12-11(8-10)14-7-6-13-3;1-2/h4-5,8-9H,6-7H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine?
ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine has a molecular weight of 225.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine is sourced from PubChem (CID 176699176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).