1-ethyl-6-methyl-3,4-dihydro-2H-pyridine

C8H15N — CID 45087233

IUPAC1-ethyl-6-methyl-3,4-dihydro-2H-pyridine
SMILESCCN1CCCC=C1C
InChIInChI=1S/C8H15N/c1-3-9-7-5-4-6-8(9)2/h6H,3-5,7H2,1-2H3
InChIKeyHFDYMWORRGGBSZ-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.01
Rot. Bonds1

About 1-ethyl-6-methyl-3,4-dihydro-2H-pyridine

1-ethyl-6-methyl-3,4-dihydro-2H-pyridine (PubChem CID 45087233) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 1-ethyl-6-methyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-ethyl-6-methyl-3,4-dihydro-2H-pyridine
PubChem CID45087233
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name1-ethyl-6-methyl-3,4-dihydro-2H-pyridine
SMILESCCN1CCCC=C1C
InChIInChI=1S/C8H15N/c1-3-9-7-5-4-6-8(9)2/h6H,3-5,7H2,1-2H3
InChIKeyHFDYMWORRGGBSZ-UHFFFAOYSA-N
XLogP2.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 1-ethyl-6-methyl-3,4-dihydro-2H-pyridine (CID 45087233) is 1-ethyl-6-methyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-ethyl-6-methyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1-ethyl-6-methyl-3,4-dihydro-2H-pyridine is CCN1CCCC=C1C.
What is the InChIKey of 1-ethyl-6-methyl-3,4-dihydro-2H-pyridine?
The InChIKey is HFDYMWORRGGBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-9-7-5-4-6-8(9)2/h6H,3-5,7H2,1-2H3.
What are the key properties of 1-ethyl-6-methyl-3,4-dihydro-2H-pyridine?
1-ethyl-6-methyl-3,4-dihydro-2H-pyridine has a molecular weight of 125.21 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 45087233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).