3,4-diethyl-2,3-dihydropyridine

C9H15N — CID 123611467

IUPAC3,4-diethyl-2,3-dihydropyridine
SMILESCCC1=CC=NCC1CC
InChIInChI=1S/C9H15N/c1-3-8-5-6-10-7-9(8)4-2/h5-6,9H,3-4,7H2,1-2H3
InChIKeyZKBOIPVWIIXKEQ-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds2

About 3,4-diethyl-2,3-dihydropyridine

3,4-diethyl-2,3-dihydropyridine (PubChem CID 123611467) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3,4-diethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name3,4-diethyl-2,3-dihydropyridine
PubChem CID123611467
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3,4-diethyl-2,3-dihydropyridine
SMILESCCC1=CC=NCC1CC
InChIInChI=1S/C9H15N/c1-3-8-5-6-10-7-9(8)4-2/h5-6,9H,3-4,7H2,1-2H3
InChIKeyZKBOIPVWIIXKEQ-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine
CID 89431580
2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine
CID 135127173
4-Methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 172628097
N-[(E)-Methyl](phenyl)-N-[(E)-2-propenylidene]methanaminium
CID 137349817
(3S)-N-cyclohexyl-3,7-dimethyloct-6-en-1-imine
CID 13509326
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
4-ethyl-3,3-dimethyl-2H-pyridine
CID 21561178
5,6,7,7a-tetrahydro-1H-isoindole
CID 53791560
2,3,4-Trimethyl-2,3-dihydropyridine
CID 53836102
2,6,9,9a-tetrahydro-1H-3-benzazepine
CID 54031920

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-2,3-dihydropyridine?
The IUPAC name of 3,4-diethyl-2,3-dihydropyridine (CID 123611467) is 3,4-diethyl-2,3-dihydropyridine.
What is the SMILES notation for 3,4-diethyl-2,3-dihydropyridine?
The canonical SMILES for 3,4-diethyl-2,3-dihydropyridine is CCC1=CC=NCC1CC.
What is the InChIKey of 3,4-diethyl-2,3-dihydropyridine?
The InChIKey is ZKBOIPVWIIXKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-8-5-6-10-7-9(8)4-2/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of 3,4-diethyl-2,3-dihydropyridine?
3,4-diethyl-2,3-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-2,3-dihydropyridine is sourced from PubChem (CID 123611467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).