2,2,4-trimethyl-3,4-dihydro-1H-pyridine

C8H15N — CID 21407637

IUPAC2,2,4-trimethyl-3,4-dihydro-1H-pyridine
SMILESCC1C=CNC(C)(C)C1
InChIInChI=1S/C8H15N/c1-7-4-5-9-8(2,3)6-7/h4-5,7,9H,6H2,1-3H3
InChIKeyCAFBNHPAOQKSSY-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.91
Rot. Bonds

About 2,2,4-trimethyl-3,4-dihydro-1H-pyridine

2,2,4-trimethyl-3,4-dihydro-1H-pyridine (PubChem CID 21407637) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2,2,4-trimethyl-3,4-dihydro-1H-pyridine.

Molecular Properties

Compound Name2,2,4-trimethyl-3,4-dihydro-1H-pyridine
PubChem CID21407637
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2,2,4-trimethyl-3,4-dihydro-1H-pyridine
SMILESCC1C=CNC(C)(C)C1
InChIInChI=1S/C8H15N/c1-7-4-5-9-8(2,3)6-7/h4-5,7,9H,6H2,1-3H3
InChIKeyCAFBNHPAOQKSSY-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-3,4-dihydro-1H-pyridine?
The IUPAC name of 2,2,4-trimethyl-3,4-dihydro-1H-pyridine (CID 21407637) is 2,2,4-trimethyl-3,4-dihydro-1H-pyridine.
What is the SMILES notation for 2,2,4-trimethyl-3,4-dihydro-1H-pyridine?
The canonical SMILES for 2,2,4-trimethyl-3,4-dihydro-1H-pyridine is CC1C=CNC(C)(C)C1.
What is the InChIKey of 2,2,4-trimethyl-3,4-dihydro-1H-pyridine?
The InChIKey is CAFBNHPAOQKSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7-4-5-9-8(2,3)6-7/h4-5,7,9H,6H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-3,4-dihydro-1H-pyridine?
2,2,4-trimethyl-3,4-dihydro-1H-pyridine has a molecular weight of 125.21 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3,4-dihydro-1H-pyridine is sourced from PubChem (CID 21407637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).