5-[1-(2,2-dimethylpropoxy)ethenyl]-6-methyl-1,2,3,4-tetrahydropyridine

C13H23NO — CID 139491727

IUPAC5-[1-(2,2-dimethylpropoxy)ethenyl]-6-methyl-1,2,3,4-tetrahydropyridine
SMILESC=C(OCC(C)(C)C)C1=C(C)NCCC1
InChIInChI=1S/C13H23NO/c1-10-12(7-6-8-14-10)11(2)15-9-13(3,4)5/h14H,2,6-9H2,1,3-5H3
InChIKeyRKHOGGCVUVHFTF-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.22
Rot. Bonds3

About 5-[1-(2,2-dimethylpropoxy)ethenyl]-6-methyl-1,2,3,4-tetrahydropyridine

5-[1-(2,2-dimethylpropoxy)ethenyl]-6-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 139491727) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 5-[1-(2,2-dimethylpropoxy)ethenyl]-6-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name5-[1-(2,2-dimethylpropoxy)ethenyl]-6-methyl-1,2,3,4-tetrahydropyridine
PubChem CID139491727
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name5-[1-(2,2-dimethylpropoxy)ethenyl]-6-methyl-1,2,3,4-tetrahydropyridine
SMILESC=C(OCC(C)(C)C)C1=C(C)NCCC1
InChIInChI=1S/C13H23NO/c1-10-12(7-6-8-14-10)11(2)15-9-13(3,4)5/h14H,2,6-9H2,1,3-5H3
InChIKeyRKHOGGCVUVHFTF-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2-dimethylpropoxy)ethenyl]-6-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 5-[1-(2,2-dimethylpropoxy)ethenyl]-6-methyl-1,2,3,4-tetrahydropyridine (CID 139491727) is 5-[1-(2,2-dimethylpropoxy)ethenyl]-6-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 5-[1-(2,2-dimethylpropoxy)ethenyl]-6-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 5-[1-(2,2-dimethylpropoxy)ethenyl]-6-methyl-1,2,3,4-tetrahydropyridine is C=C(OCC(C)(C)C)C1=C(C)NCCC1.
What is the InChIKey of 5-[1-(2,2-dimethylpropoxy)ethenyl]-6-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is RKHOGGCVUVHFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10-12(7-6-8-14-10)11(2)15-9-13(3,4)5/h14H,2,6-9H2,1,3-5H3.
What are the key properties of 5-[1-(2,2-dimethylpropoxy)ethenyl]-6-methyl-1,2,3,4-tetrahydropyridine?
5-[1-(2,2-dimethylpropoxy)ethenyl]-6-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 209.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2-dimethylpropoxy)ethenyl]-6-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 139491727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).