(2S)-2-ethyl-2-methyl-1H-pyridine

C8H13N — CID 68928468

IUPAC(2S)-2-ethyl-2-methyl-1H-pyridine
SMILESCC[C@@]1(C)C=CC=CN1
InChIInChI=1S/C8H13N/c1-3-8(2)6-4-5-7-9-8/h4-7,9H,3H2,1-2H3/t8-/m0/s1
InChIKeyDFQDIURDDFNMNK-QMMMGPOBSA-N
MW123.20 g/mol
LogP1.83
Rot. Bonds1

About (2S)-2-ethyl-2-methyl-1H-pyridine

(2S)-2-ethyl-2-methyl-1H-pyridine (PubChem CID 68928468) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2S)-2-ethyl-2-methyl-1H-pyridine.

Molecular Properties

Compound Name(2S)-2-ethyl-2-methyl-1H-pyridine
PubChem CID68928468
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2S)-2-ethyl-2-methyl-1H-pyridine
SMILESCC[C@@]1(C)C=CC=CN1
InChIInChI=1S/C8H13N/c1-3-8(2)6-4-5-7-9-8/h4-7,9H,3H2,1-2H3/t8-/m0/s1
InChIKeyDFQDIURDDFNMNK-QMMMGPOBSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-2-methyl-1H-pyridine?
The IUPAC name of (2S)-2-ethyl-2-methyl-1H-pyridine (CID 68928468) is (2S)-2-ethyl-2-methyl-1H-pyridine.
What is the SMILES notation for (2S)-2-ethyl-2-methyl-1H-pyridine?
The canonical SMILES for (2S)-2-ethyl-2-methyl-1H-pyridine is CC[C@@]1(C)C=CC=CN1.
What is the InChIKey of (2S)-2-ethyl-2-methyl-1H-pyridine?
The InChIKey is DFQDIURDDFNMNK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13N/c1-3-8(2)6-4-5-7-9-8/h4-7,9H,3H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-ethyl-2-methyl-1H-pyridine?
(2S)-2-ethyl-2-methyl-1H-pyridine has a molecular weight of 123.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-2-methyl-1H-pyridine is sourced from PubChem (CID 68928468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).