1-ethyl-6-[(2S)-4-methoxybutan-2-yl]-2H-pyridine

C12H21NO — CID 145166332

IUPAC1-ethyl-6-[(2S)-4-methoxybutan-2-yl]-2H-pyridine
SMILESCCN1CC=CC=C1[C@@H](C)CCOC
InChIInChI=1S/C12H21NO/c1-4-13-9-6-5-7-12(13)11(2)8-10-14-3/h5-7,11H,4,8-10H2,1-3H3/t11-/m0/s1
InChIKeyXFALPFLDURDZPM-NSHDSACASA-N
MW195.31 g/mol
LogP2.43
Rot. Bonds5

About 1-ethyl-6-[(2S)-4-methoxybutan-2-yl]-2H-pyridine

1-ethyl-6-[(2S)-4-methoxybutan-2-yl]-2H-pyridine (PubChem CID 145166332) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-ethyl-6-[(2S)-4-methoxybutan-2-yl]-2H-pyridine.

Molecular Properties

Compound Name1-ethyl-6-[(2S)-4-methoxybutan-2-yl]-2H-pyridine
PubChem CID145166332
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-ethyl-6-[(2S)-4-methoxybutan-2-yl]-2H-pyridine
SMILESCCN1CC=CC=C1[C@@H](C)CCOC
InChIInChI=1S/C12H21NO/c1-4-13-9-6-5-7-12(13)11(2)8-10-14-3/h5-7,11H,4,8-10H2,1-3H3/t11-/m0/s1
InChIKeyXFALPFLDURDZPM-NSHDSACASA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[(2S)-4-methoxybutan-2-yl]-2H-pyridine?
The IUPAC name of 1-ethyl-6-[(2S)-4-methoxybutan-2-yl]-2H-pyridine (CID 145166332) is 1-ethyl-6-[(2S)-4-methoxybutan-2-yl]-2H-pyridine.
What is the SMILES notation for 1-ethyl-6-[(2S)-4-methoxybutan-2-yl]-2H-pyridine?
The canonical SMILES for 1-ethyl-6-[(2S)-4-methoxybutan-2-yl]-2H-pyridine is CCN1CC=CC=C1[C@@H](C)CCOC.
What is the InChIKey of 1-ethyl-6-[(2S)-4-methoxybutan-2-yl]-2H-pyridine?
The InChIKey is XFALPFLDURDZPM-NSHDSACASA-N. The full InChI is InChI=1S/C12H21NO/c1-4-13-9-6-5-7-12(13)11(2)8-10-14-3/h5-7,11H,4,8-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-ethyl-6-[(2S)-4-methoxybutan-2-yl]-2H-pyridine?
1-ethyl-6-[(2S)-4-methoxybutan-2-yl]-2H-pyridine has a molecular weight of 195.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[(2S)-4-methoxybutan-2-yl]-2H-pyridine is sourced from PubChem (CID 145166332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).