4-propan-2-yl-1,2,3,6-tetrahydropyridine

C8H15N — CID 23423759

IUPAC4-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCC(C)C1=CCNCC1
InChIInChI=1S/C8H15N/c1-7(2)8-3-5-9-6-4-8/h3,7,9H,4-6H2,1-2H3
InChIKeyXWPSWEMOIWQZJC-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.56
Rot. Bonds1

About 4-propan-2-yl-1,2,3,6-tetrahydropyridine

4-propan-2-yl-1,2,3,6-tetrahydropyridine (PubChem CID 23423759) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 4-propan-2-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-propan-2-yl-1,2,3,6-tetrahydropyridine
PubChem CID23423759
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name4-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCC(C)C1=CCNCC1
InChIInChI=1S/C8H15N/c1-7(2)8-3-5-9-6-4-8/h3,7,9H,4-6H2,1-2H3
InChIKeyXWPSWEMOIWQZJC-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.56
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 4-propan-2-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-propan-2-yl-1,2,3,6-tetrahydropyridine (CID 23423759) is 4-propan-2-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-propan-2-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-propan-2-yl-1,2,3,6-tetrahydropyridine is CC(C)C1=CCNCC1.
What is the InChIKey of 4-propan-2-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is XWPSWEMOIWQZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)8-3-5-9-6-4-8/h3,7,9H,4-6H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,2,3,6-tetrahydropyridine?
4-propan-2-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 125.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 23423759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).