1,3,5-triethyl-3,6-dihydro-2H-pyridine

C11H21N — CID 176684574

IUPAC1,3,5-triethyl-3,6-dihydro-2H-pyridine
SMILESCCC1=CC(CC)CN(CC)C1
InChIInChI=1S/C11H21N/c1-4-10-7-11(5-2)9-12(6-3)8-10/h7,10H,4-6,8-9H2,1-3H3
InChIKeyUBEVVSICHBAUSQ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds3

About 1,3,5-triethyl-3,6-dihydro-2H-pyridine

1,3,5-triethyl-3,6-dihydro-2H-pyridine (PubChem CID 176684574) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1,3,5-triethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,3,5-triethyl-3,6-dihydro-2H-pyridine
PubChem CID176684574
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1,3,5-triethyl-3,6-dihydro-2H-pyridine
SMILESCCC1=CC(CC)CN(CC)C1
InChIInChI=1S/C11H21N/c1-4-10-7-11(5-2)9-12(6-3)8-10/h7,10H,4-6,8-9H2,1-3H3
InChIKeyUBEVVSICHBAUSQ-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1,3,5-triethyl-3,6-dihydro-2H-pyridine (CID 176684574) is 1,3,5-triethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1,3,5-triethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1,3,5-triethyl-3,6-dihydro-2H-pyridine is CCC1=CC(CC)CN(CC)C1.
What is the InChIKey of 1,3,5-triethyl-3,6-dihydro-2H-pyridine?
The InChIKey is UBEVVSICHBAUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-10-7-11(5-2)9-12(6-3)8-10/h7,10H,4-6,8-9H2,1-3H3.
What are the key properties of 1,3,5-triethyl-3,6-dihydro-2H-pyridine?
1,3,5-triethyl-3,6-dihydro-2H-pyridine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 176684574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).