5,5,6-trimethyl-3,4-dihydro-2H-pyridine

C8H15N — CID 13157776

IUPAC5,5,6-trimethyl-3,4-dihydro-2H-pyridine
SMILESCC1=NCCCC1(C)C
InChIInChI=1S/C8H15N/c1-7-8(2,3)5-4-6-9-7/h4-6H2,1-3H3
InChIKeyKHUFWLZJGHPUEA-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.27
Rot. Bonds

About 5,5,6-trimethyl-3,4-dihydro-2H-pyridine

5,5,6-trimethyl-3,4-dihydro-2H-pyridine (PubChem CID 13157776) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 5,5,6-trimethyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name5,5,6-trimethyl-3,4-dihydro-2H-pyridine
PubChem CID13157776
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name5,5,6-trimethyl-3,4-dihydro-2H-pyridine
SMILESCC1=NCCCC1(C)C
InChIInChI=1S/C8H15N/c1-7-8(2,3)5-4-6-9-7/h4-6H2,1-3H3
InChIKeyKHUFWLZJGHPUEA-UHFFFAOYSA-N
XLogP2.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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 5,5,6-trimethyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 5,5,6-trimethyl-3,4-dihydro-2H-pyridine (CID 13157776) is 5,5,6-trimethyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 5,5,6-trimethyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 5,5,6-trimethyl-3,4-dihydro-2H-pyridine is CC1=NCCCC1(C)C.
What is the InChIKey of 5,5,6-trimethyl-3,4-dihydro-2H-pyridine?
The InChIKey is KHUFWLZJGHPUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7-8(2,3)5-4-6-9-7/h4-6H2,1-3H3.
What are the key properties of 5,5,6-trimethyl-3,4-dihydro-2H-pyridine?
5,5,6-trimethyl-3,4-dihydro-2H-pyridine has a molecular weight of 125.21 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6-trimethyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 13157776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).