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

C8H15N — CID 57006041

IUPAC4-propan-2-yl-2,3,4,5-tetrahydropyridine
SMILESCC(C)C1CC=NCC1
InChIInChI=1S/C8H15N/c1-7(2)8-3-5-9-6-4-8/h5,7-8H,3-4,6H2,1-2H3
InChIKeyTZVGQLLEPZWJML-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.12
Rot. Bonds1

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

4-propan-2-yl-2,3,4,5-tetrahydropyridine (PubChem CID 57006041) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 4-propan-2-yl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name4-propan-2-yl-2,3,4,5-tetrahydropyridine
PubChem CID57006041
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name4-propan-2-yl-2,3,4,5-tetrahydropyridine
SMILESCC(C)C1CC=NCC1
InChIInChI=1S/C8H15N/c1-7(2)8-3-5-9-6-4-8/h5,7-8H,3-4,6H2,1-2H3
InChIKeyTZVGQLLEPZWJML-UHFFFAOYSA-N
XLogP2.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 4-propan-2-yl-2,3,4,5-tetrahydropyridine (CID 57006041) is 4-propan-2-yl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 4-propan-2-yl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 4-propan-2-yl-2,3,4,5-tetrahydropyridine is CC(C)C1CC=NCC1.
What is the InChIKey of 4-propan-2-yl-2,3,4,5-tetrahydropyridine?
The InChIKey is TZVGQLLEPZWJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)8-3-5-9-6-4-8/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 4-propan-2-yl-2,3,4,5-tetrahydropyridine?
4-propan-2-yl-2,3,4,5-tetrahydropyridine has a molecular weight of 125.21 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 57006041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).