3,3,5-trimethyl-2,6-dihydro-1H-pyridine

C8H15N — CID 154201736

IUPAC3,3,5-trimethyl-2,6-dihydro-1H-pyridine
SMILESCC1=CC(C)(C)CNC1
InChIInChI=1S/C8H15N/c1-7-4-8(2,3)6-9-5-7/h4,9H,5-6H2,1-3H3
InChIKeyRRTRZWZVMHLHIF-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.56
Rot. Bonds

About 3,3,5-trimethyl-2,6-dihydro-1H-pyridine

3,3,5-trimethyl-2,6-dihydro-1H-pyridine (PubChem CID 154201736) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3,3,5-trimethyl-2,6-dihydro-1H-pyridine.

Molecular Properties

Compound Name3,3,5-trimethyl-2,6-dihydro-1H-pyridine
PubChem CID154201736
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3,3,5-trimethyl-2,6-dihydro-1H-pyridine
SMILESCC1=CC(C)(C)CNC1
InChIInChI=1S/C8H15N/c1-7-4-8(2,3)6-9-5-7/h4,9H,5-6H2,1-3H3
InChIKeyRRTRZWZVMHLHIF-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-2,6-dihydro-1H-pyridine?
The IUPAC name of 3,3,5-trimethyl-2,6-dihydro-1H-pyridine (CID 154201736) is 3,3,5-trimethyl-2,6-dihydro-1H-pyridine.
What is the SMILES notation for 3,3,5-trimethyl-2,6-dihydro-1H-pyridine?
The canonical SMILES for 3,3,5-trimethyl-2,6-dihydro-1H-pyridine is CC1=CC(C)(C)CNC1.
What is the InChIKey of 3,3,5-trimethyl-2,6-dihydro-1H-pyridine?
The InChIKey is RRTRZWZVMHLHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7-4-8(2,3)6-9-5-7/h4,9H,5-6H2,1-3H3.
What are the key properties of 3,3,5-trimethyl-2,6-dihydro-1H-pyridine?
3,3,5-trimethyl-2,6-dihydro-1H-pyridine has a molecular weight of 125.21 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-2,6-dihydro-1H-pyridine is sourced from PubChem (CID 154201736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).