2-ethyl-2,4-dimethyl-3,4-dihydro-1H-pyridine

C9H17N — CID 175810392

IUPAC2-ethyl-2,4-dimethyl-3,4-dihydro-1H-pyridine
SMILESCCC1(C)CC(C)C=CN1
InChIInChI=1S/C9H17N/c1-4-9(3)7-8(2)5-6-10-9/h5-6,8,10H,4,7H2,1-3H3
InChIKeyHHJGADYWDKXUQL-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.30
Rot. Bonds1

About 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-pyridine

2-ethyl-2,4-dimethyl-3,4-dihydro-1H-pyridine (PubChem CID 175810392) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-pyridine.

Molecular Properties

Compound Name2-ethyl-2,4-dimethyl-3,4-dihydro-1H-pyridine
PubChem CID175810392
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-ethyl-2,4-dimethyl-3,4-dihydro-1H-pyridine
SMILESCCC1(C)CC(C)C=CN1
InChIInChI=1S/C9H17N/c1-4-9(3)7-8(2)5-6-10-9/h5-6,8,10H,4,7H2,1-3H3
InChIKeyHHJGADYWDKXUQL-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-pyridine?
The IUPAC name of 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-pyridine (CID 175810392) is 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-pyridine.
What is the SMILES notation for 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-pyridine?
The canonical SMILES for 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-pyridine is CCC1(C)CC(C)C=CN1.
What is the InChIKey of 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-pyridine?
The InChIKey is HHJGADYWDKXUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-9(3)7-8(2)5-6-10-9/h5-6,8,10H,4,7H2,1-3H3.
What are the key properties of 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-pyridine?
2-ethyl-2,4-dimethyl-3,4-dihydro-1H-pyridine has a molecular weight of 139.24 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,4-dimethyl-3,4-dihydro-1H-pyridine is sourced from PubChem (CID 175810392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).