(4S)-2-ethyl-4-methyl-3,4-dihydropyridine

C8H13N — CID 89163833

IUPAC(4S)-2-ethyl-4-methyl-3,4-dihydropyridine
SMILESCCC1=NC=C[C@@H](C)C1
InChIInChI=1S/C8H13N/c1-3-8-6-7(2)4-5-9-8/h4-5,7H,3,6H2,1-2H3/t7-/m1/s1
InChIKeyXVTWYPLKADYHSX-SSDOTTSWSA-N
MW123.20 g/mol
LogP2.39
Rot. Bonds1

About (4S)-2-ethyl-4-methyl-3,4-dihydropyridine

(4S)-2-ethyl-4-methyl-3,4-dihydropyridine (PubChem CID 89163833) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (4S)-2-ethyl-4-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name(4S)-2-ethyl-4-methyl-3,4-dihydropyridine
PubChem CID89163833
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(4S)-2-ethyl-4-methyl-3,4-dihydropyridine
SMILESCCC1=NC=C[C@@H](C)C1
InChIInChI=1S/C8H13N/c1-3-8-6-7(2)4-5-9-8/h4-5,7H,3,6H2,1-2H3/t7-/m1/s1
InChIKeyXVTWYPLKADYHSX-SSDOTTSWSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-Fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine
CID 141419498
5-Fluoro-2-propan-2-yl-3,4-dihydropyridine
CID 145484234
3-Fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine
CID 154991486
2-Ethyl-5-fluoro-4-methyl-3,4-dihydropyridine
CID 156207077
3-Ethyl-4-methyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 178831019
2,4-Dimethyl-4-ethylpyridine
CID 129809879
Azabicyclo[4.3.1]decadiene
CID 129815785
Azabicyclo[3.2.1]octadiene
CID 129817585
2-Methyl-4-(trifluoromethyl)-3,4-dihydropyridine
CID 152829510
4-Ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 162611849
2-Methyl-3,4-dihydropyridine
CID 14979252
2-Ethyl-3,4-dihydropyridine
CID 14979253

Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethyl-4-methyl-3,4-dihydropyridine?
The IUPAC name of (4S)-2-ethyl-4-methyl-3,4-dihydropyridine (CID 89163833) is (4S)-2-ethyl-4-methyl-3,4-dihydropyridine.
What is the SMILES notation for (4S)-2-ethyl-4-methyl-3,4-dihydropyridine?
The canonical SMILES for (4S)-2-ethyl-4-methyl-3,4-dihydropyridine is CCC1=NC=C[C@@H](C)C1.
What is the InChIKey of (4S)-2-ethyl-4-methyl-3,4-dihydropyridine?
The InChIKey is XVTWYPLKADYHSX-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13N/c1-3-8-6-7(2)4-5-9-8/h4-5,7H,3,6H2,1-2H3/t7-/m1/s1.
What are the key properties of (4S)-2-ethyl-4-methyl-3,4-dihydropyridine?
(4S)-2-ethyl-4-methyl-3,4-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethyl-4-methyl-3,4-dihydropyridine is sourced from PubChem (CID 89163833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).