2-ethyl-5,6-dimethyl-3,4-dihydropyridine

C9H15N — CID 164915727

IUPAC2-ethyl-5,6-dimethyl-3,4-dihydropyridine
SMILESCCC1=NC(C)=C(C)CC1
InChIInChI=1S/C9H15N/c1-4-9-6-5-7(2)8(3)10-9/h4-6H2,1-3H3
InChIKeyPLADNBINCRYBOS-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.93
Rot. Bonds1

About 2-ethyl-5,6-dimethyl-3,4-dihydropyridine

2-ethyl-5,6-dimethyl-3,4-dihydropyridine (PubChem CID 164915727) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-ethyl-5,6-dimethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-ethyl-5,6-dimethyl-3,4-dihydropyridine
PubChem CID164915727
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-ethyl-5,6-dimethyl-3,4-dihydropyridine
SMILESCCC1=NC(C)=C(C)CC1
InChIInChI=1S/C9H15N/c1-4-9-6-5-7(2)8(3)10-9/h4-6H2,1-3H3
InChIKeyPLADNBINCRYBOS-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 145086520
2,4,5-trimethyl-3H-pyrrole
CID 9793719
4-ethyl-2,5-dimethyl-3H-pyrrole
CID 20765952
N,2,3-trimethylcyclohex-2-en-1-imine
CID 21303745
N,2,3-trimethylcyclopent-2-en-1-imine
CID 21303746
2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole
CID 23542589
2-methyl-4,5,6,7-tetrahydro-3H-indole
CID 23558734
2,3,4-Triethylazete
CID 57185997
4,5-dimethyl-2-propan-2-yl-3H-pyrrole
CID 58746494
2,4-dimethyl-5-propan-2-yl-3H-pyrrole
CID 68249327
2,5,6-Trimethyl-3,4-dihydropyridine
CID 88990187
2-ethyl-4,5-dimethyl-3H-pyrrole
CID 89100809

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6-dimethyl-3,4-dihydropyridine?
The IUPAC name of 2-ethyl-5,6-dimethyl-3,4-dihydropyridine (CID 164915727) is 2-ethyl-5,6-dimethyl-3,4-dihydropyridine.
What is the SMILES notation for 2-ethyl-5,6-dimethyl-3,4-dihydropyridine?
The canonical SMILES for 2-ethyl-5,6-dimethyl-3,4-dihydropyridine is CCC1=NC(C)=C(C)CC1.
What is the InChIKey of 2-ethyl-5,6-dimethyl-3,4-dihydropyridine?
The InChIKey is PLADNBINCRYBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-9-6-5-7(2)8(3)10-9/h4-6H2,1-3H3.
What are the key properties of 2-ethyl-5,6-dimethyl-3,4-dihydropyridine?
2-ethyl-5,6-dimethyl-3,4-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6-dimethyl-3,4-dihydropyridine is sourced from PubChem (CID 164915727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).