5-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine

C10H19N — CID 155280362

IUPAC5-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine
SMILESCCC(C)(C)C1=CCCNC1
InChIInChI=1S/C10H19N/c1-4-10(2,3)9-6-5-7-11-8-9/h6,11H,4-5,7-8H2,1-3H3
InChIKeyRGKQLFJJTKSNMI-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds2

About 5-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine

5-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 155280362) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine
PubChem CID155280362
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name5-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine
SMILESCCC(C)(C)C1=CCCNC1
InChIInChI=1S/C10H19N/c1-4-10(2,3)9-6-5-7-11-8-9/h6,11H,4-5,7-8H2,1-3H3
InChIKeyRGKQLFJJTKSNMI-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
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 5-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine (CID 155280362) is 5-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine is CCC(C)(C)C1=CCCNC1.
What is the InChIKey of 5-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is RGKQLFJJTKSNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-10(2,3)9-6-5-7-11-8-9/h6,11H,4-5,7-8H2,1-3H3.
What are the key properties of 5-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine?
5-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 155280362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).