3-butoxy-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine

C15H23NO2 — CID 70229825

IUPAC3-butoxy-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine
SMILESCCCCOc1cncc([C@H]2C[C@@H]2CCOC)c1
InChIInChI=1S/C15H23NO2/c1-3-4-6-18-14-8-13(10-16-11-14)15-9-12(15)5-7-17-2/h8,10-12,15H,3-7,9H2,1-2H3/t12-,15-/m0/s1
InChIKeyQHVJPJQIFIBCFG-WFASDCNBSA-N
MW249.35 g/mol
LogP3.40
Rot. Bonds8

About 3-butoxy-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine

3-butoxy-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine (PubChem CID 70229825) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-butoxy-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine.

Molecular Properties

Compound Name3-butoxy-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine
PubChem CID70229825
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-butoxy-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine
SMILESCCCCOc1cncc([C@H]2C[C@@H]2CCOC)c1
InChIInChI=1S/C15H23NO2/c1-3-4-6-18-14-8-13(10-16-11-14)15-9-12(15)5-7-17-2/h8,10-12,15H,3-7,9H2,1-2H3/t12-,15-/m0/s1
InChIKeyQHVJPJQIFIBCFG-WFASDCNBSA-N
XLogP3.40
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.40
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

3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine
CID 59371604
3-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]-5-methylpyridine;5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridin-3-ol
CID 158756944
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]pyridine
CID 59371464
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine
CID 68611505
2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol
CID 56951233
1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene
CID 102003898
1,3-dibutoxy-5-cyclopropylbenzene
CID 118425724
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[3-[(4-chlorophenyl)methoxy]propoxy]ethyl]cyclopropyl]pyridine
CID 68613042
1,3,5-tributoxybenzene
CID 15933337
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine
CID 68613474
[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol
CID 46190781
3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine
CID 59371597

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine?
The IUPAC name of 3-butoxy-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine (CID 70229825) is 3-butoxy-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine.
What is the SMILES notation for 3-butoxy-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine?
The canonical SMILES for 3-butoxy-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine is CCCCOc1cncc([C@H]2C[C@@H]2CCOC)c1.
What is the InChIKey of 3-butoxy-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine?
The InChIKey is QHVJPJQIFIBCFG-WFASDCNBSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-4-6-18-14-8-13(10-16-11-14)15-9-12(15)5-7-17-2/h8,10-12,15H,3-7,9H2,1-2H3/t12-,15-/m0/s1.
What are the key properties of 3-butoxy-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine?
3-butoxy-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine has a molecular weight of 249.35 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine is sourced from PubChem (CID 70229825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).