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

C8H15N — CID 59492428

IUPAC5-propan-2-yl-1,2,3,4-tetrahydropyridine
SMILESCC(C)C1=CNCCC1
InChIInChI=1S/C8H15N/c1-7(2)8-4-3-5-9-6-8/h6-7,9H,3-5H2,1-2H3
InChIKeyCEIGCEPVFKDXLA-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.91
Rot. Bonds1

About 5-propan-2-yl-1,2,3,4-tetrahydropyridine

5-propan-2-yl-1,2,3,4-tetrahydropyridine (PubChem CID 59492428) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 5-propan-2-yl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name5-propan-2-yl-1,2,3,4-tetrahydropyridine
PubChem CID59492428
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name5-propan-2-yl-1,2,3,4-tetrahydropyridine
SMILESCC(C)C1=CNCCC1
InChIInChI=1S/C8H15N/c1-7(2)8-4-3-5-9-6-8/h6-7,9H,3-5H2,1-2H3
InChIKeyCEIGCEPVFKDXLA-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 5-propan-2-yl-1,2,3,4-tetrahydropyridine (CID 59492428) is 5-propan-2-yl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 5-propan-2-yl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 5-propan-2-yl-1,2,3,4-tetrahydropyridine is CC(C)C1=CNCCC1.
What is the InChIKey of 5-propan-2-yl-1,2,3,4-tetrahydropyridine?
The InChIKey is CEIGCEPVFKDXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)8-4-3-5-9-6-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 5-propan-2-yl-1,2,3,4-tetrahydropyridine?
5-propan-2-yl-1,2,3,4-tetrahydropyridine has a molecular weight of 125.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 59492428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).