3,6-diethyl-3-methyl-4,5-dihydro-2H-pyridine

C10H19N — CID 134987327

IUPAC3,6-diethyl-3-methyl-4,5-dihydro-2H-pyridine
SMILESCCC1=NCC(C)(CC)CC1
InChIInChI=1S/C10H19N/c1-4-9-6-7-10(3,5-2)8-11-9/h4-8H2,1-3H3
InChIKeyKMRBZSJJCVNPIR-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.05
Rot. Bonds2

About 3,6-diethyl-3-methyl-4,5-dihydro-2H-pyridine

3,6-diethyl-3-methyl-4,5-dihydro-2H-pyridine (PubChem CID 134987327) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3,6-diethyl-3-methyl-4,5-dihydro-2H-pyridine.

Molecular Properties

Compound Name3,6-diethyl-3-methyl-4,5-dihydro-2H-pyridine
PubChem CID134987327
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3,6-diethyl-3-methyl-4,5-dihydro-2H-pyridine
SMILESCCC1=NCC(C)(CC)CC1
InChIInChI=1S/C10H19N/c1-4-9-6-7-10(3,5-2)8-11-9/h4-8H2,1-3H3
InChIKeyKMRBZSJJCVNPIR-UHFFFAOYSA-N
XLogP3.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-3-methyl-4,5-dihydro-2H-pyridine?
The IUPAC name of 3,6-diethyl-3-methyl-4,5-dihydro-2H-pyridine (CID 134987327) is 3,6-diethyl-3-methyl-4,5-dihydro-2H-pyridine.
What is the SMILES notation for 3,6-diethyl-3-methyl-4,5-dihydro-2H-pyridine?
The canonical SMILES for 3,6-diethyl-3-methyl-4,5-dihydro-2H-pyridine is CCC1=NCC(C)(CC)CC1.
What is the InChIKey of 3,6-diethyl-3-methyl-4,5-dihydro-2H-pyridine?
The InChIKey is KMRBZSJJCVNPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-9-6-7-10(3,5-2)8-11-9/h4-8H2,1-3H3.
What are the key properties of 3,6-diethyl-3-methyl-4,5-dihydro-2H-pyridine?
3,6-diethyl-3-methyl-4,5-dihydro-2H-pyridine has a molecular weight of 153.27 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-3-methyl-4,5-dihydro-2H-pyridine is sourced from PubChem (CID 134987327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).