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

C8H15N — CID 22956980

IUPAC6-propan-2-yl-2,3,4,5-tetrahydropyridine
SMILESCC(C)C1=NCCCC1
InChIInChI=1S/C8H15N/c1-7(2)8-5-3-4-6-9-8/h7H,3-6H2,1-2H3
InChIKeyDTNQWHDADMHEQF-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.27
Rot. Bonds1

About 6-propan-2-yl-2,3,4,5-tetrahydropyridine

6-propan-2-yl-2,3,4,5-tetrahydropyridine (PubChem CID 22956980) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 6-propan-2-yl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-propan-2-yl-2,3,4,5-tetrahydropyridine
PubChem CID22956980
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name6-propan-2-yl-2,3,4,5-tetrahydropyridine
SMILESCC(C)C1=NCCCC1
InChIInChI=1S/C8H15N/c1-7(2)8-5-3-4-6-9-8/h7H,3-6H2,1-2H3
InChIKeyDTNQWHDADMHEQF-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-propan-2-yl-2,3,4,5-tetrahydropyridine (CID 22956980) is 6-propan-2-yl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-propan-2-yl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-propan-2-yl-2,3,4,5-tetrahydropyridine is CC(C)C1=NCCCC1.
What is the InChIKey of 6-propan-2-yl-2,3,4,5-tetrahydropyridine?
The InChIKey is DTNQWHDADMHEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)8-5-3-4-6-9-8/h7H,3-6H2,1-2H3.
What are the key properties of 6-propan-2-yl-2,3,4,5-tetrahydropyridine?
6-propan-2-yl-2,3,4,5-tetrahydropyridine has a molecular weight of 125.21 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 22956980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).