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

C11H21N — CID 154952865

IUPAC5-(2-methylpentan-2-yl)-1,2,3,6-tetrahydropyridine
SMILESCCCC(C)(C)C1=CCCNC1
InChIInChI=1S/C11H21N/c1-4-7-11(2,3)10-6-5-8-12-9-10/h6,12H,4-5,7-9H2,1-3H3
InChIKeyBLETZJYOPCKMDX-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds3

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

5-(2-methylpentan-2-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 154952865) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 5-(2-methylpentan-2-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(2-methylpentan-2-yl)-1,2,3,6-tetrahydropyridine
PubChem CID154952865
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name5-(2-methylpentan-2-yl)-1,2,3,6-tetrahydropyridine
SMILESCCCC(C)(C)C1=CCCNC1
InChIInChI=1S/C11H21N/c1-4-7-11(2,3)10-6-5-8-12-9-10/h6,12H,4-5,7-9H2,1-3H3
InChIKeyBLETZJYOPCKMDX-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.73
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-methylpentan-2-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(2-methylpentan-2-yl)-1,2,3,6-tetrahydropyridine (CID 154952865) is 5-(2-methylpentan-2-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(2-methylpentan-2-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(2-methylpentan-2-yl)-1,2,3,6-tetrahydropyridine is CCCC(C)(C)C1=CCCNC1.
What is the InChIKey of 5-(2-methylpentan-2-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is BLETZJYOPCKMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-7-11(2,3)10-6-5-8-12-9-10/h6,12H,4-5,7-9H2,1-3H3.
What are the key properties of 5-(2-methylpentan-2-yl)-1,2,3,6-tetrahydropyridine?
5-(2-methylpentan-2-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 167.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpentan-2-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 154952865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).