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

C9H17N — CID 57154804

IUPAC4-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine
SMILESCCC1CC(C)=NC(C)C1
InChIInChI=1S/C9H17N/c1-4-9-5-7(2)10-8(3)6-9/h7,9H,4-6H2,1-3H3
InChIKeyLWUWLVBCLDKVIK-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.66
Rot. Bonds1

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

4-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine (PubChem CID 57154804) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name4-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine
PubChem CID57154804
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine
SMILESCCC1CC(C)=NC(C)C1
InChIInChI=1S/C9H17N/c1-4-9-5-7(2)10-8(3)6-9/h7,9H,4-6H2,1-3H3
InChIKeyLWUWLVBCLDKVIK-UHFFFAOYSA-N
XLogP2.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Butylamine, N-(1,3-dimethylbutylidene)-1,3-dimethyl-
CID 97853
2-Cyclohexylimino-3-methylbutane
CID 557874
N-(2,6-dimethylcyclohexylidene)-2-propanamine
CID 11457899
6-Cyclohexyl-2,3,4,5-tetrahydropyridine
CID 12229454
N-cyclohexyl-2-methylcyclohexan-1-imine
CID 12527862
N-cyclohexyl-4-methylpentan-2-imine
CID 12538105
2-Methyl-3,3a,4,5,6,7-hexahydro-2H-indole
CID 14663696
6-(Propan-2-yl)-2,3,4,5-tetrahydropyridine
CID 22956980
2-Cyclohexyl-1-pyrroline
CID 53832044
6-Butan-2-yl-2,3,4,5-tetrahydropyridine
CID 134926218
(2S)-5-fluoro-2,9-dimethyl-4-propyl-3,4,5,6,7,8-hexahydro-2H-azonine
CID 138749750
1-cyclohexyl-N-propylethanimine
CID 11095012

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 4-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine (CID 57154804) is 4-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 4-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 4-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine is CCC1CC(C)=NC(C)C1.
What is the InChIKey of 4-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine?
The InChIKey is LWUWLVBCLDKVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-9-5-7(2)10-8(3)6-9/h7,9H,4-6H2,1-3H3.
What are the key properties of 4-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine?
4-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine has a molecular weight of 139.24 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 57154804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).