5-ethyl-2,4-dimethyl-2,3-dihydropyridine

C9H15N — CID 123756671

IUPAC5-ethyl-2,4-dimethyl-2,3-dihydropyridine
SMILESCCC1=C(C)CC(C)N=C1
InChIInChI=1S/C9H15N/c1-4-9-6-10-8(3)5-7(9)2/h6,8H,4-5H2,1-3H3
InChIKeyBXPCYYZLCYANIG-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.58
Rot. Bonds1

About 5-ethyl-2,4-dimethyl-2,3-dihydropyridine

5-ethyl-2,4-dimethyl-2,3-dihydropyridine (PubChem CID 123756671) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-ethyl-2,4-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-ethyl-2,4-dimethyl-2,3-dihydropyridine
PubChem CID123756671
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-ethyl-2,4-dimethyl-2,3-dihydropyridine
SMILESCCC1=C(C)CC(C)N=C1
InChIInChI=1S/C9H15N/c1-4-9-6-10-8(3)5-7(9)2/h6,8H,4-5H2,1-3H3
InChIKeyBXPCYYZLCYANIG-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-Fluoroethyl)-5-methyl-2,3-dihydropyridine
CID 143887758
N-tert-butyl-2-cyclohexylidenepropan-1-imine
CID 134889888
(2R)-2,4-dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine
CID 162620449
2,2-dimethyl-4-propan-2-ylidene-3H-pyrrole
CID 21678485
2,5-Dimethyl-2,3-dihydropyridine
CID 20872587
2,4-Dimethyl-2,3-dihydropyridine
CID 53803640
2,3,4,5-Tetramethyl-2,3-dihydropyridine
CID 54196834
3,4,5-Trimethyl-2,3-dihydropyridine
CID 57788725
5-Propyl-2,3-dihydropyridine
CID 67965940
5-But-3-enyl-4-methyl-2,3-dihydropyridine
CID 70267509
(2S)-2,5-dimethyl-2,3-dihydropyridine
CID 70326462
2,3-dimethyl-5-methylidene-4H-pyridine
CID 89005507

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,4-dimethyl-2,3-dihydropyridine?
The IUPAC name of 5-ethyl-2,4-dimethyl-2,3-dihydropyridine (CID 123756671) is 5-ethyl-2,4-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for 5-ethyl-2,4-dimethyl-2,3-dihydropyridine?
The canonical SMILES for 5-ethyl-2,4-dimethyl-2,3-dihydropyridine is CCC1=C(C)CC(C)N=C1.
What is the InChIKey of 5-ethyl-2,4-dimethyl-2,3-dihydropyridine?
The InChIKey is BXPCYYZLCYANIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-9-6-10-8(3)5-7(9)2/h6,8H,4-5H2,1-3H3.
What are the key properties of 5-ethyl-2,4-dimethyl-2,3-dihydropyridine?
5-ethyl-2,4-dimethyl-2,3-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,4-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 123756671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).