2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine

C11H19N — CID 59017032

IUPAC2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine
SMILESC=C(C)C1=NC(C)(C)CC(C)C1
InChIInChI=1S/C11H19N/c1-8(2)10-6-9(3)7-11(4,5)12-10/h9H,1,6-7H2,2-5H3
InChIKeyOAFVYUDQMWKIOT-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds1

About 2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine

2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine (PubChem CID 59017032) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine.

Molecular Properties

Compound Name2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine
PubChem CID59017032
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine
SMILESC=C(C)C1=NC(C)(C)CC(C)C1
InChIInChI=1S/C11H19N/c1-8(2)10-6-9(3)7-11(4,5)12-10/h9H,1,6-7H2,2-5H3
InChIKeyOAFVYUDQMWKIOT-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine?
The IUPAC name of 2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine (CID 59017032) is 2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine.
What is the SMILES notation for 2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine?
The canonical SMILES for 2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine is C=C(C)C1=NC(C)(C)CC(C)C1.
What is the InChIKey of 2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine?
The InChIKey is OAFVYUDQMWKIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)10-6-9(3)7-11(4,5)12-10/h9H,1,6-7H2,2-5H3.
What are the key properties of 2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine?
2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine has a molecular weight of 165.28 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine is sourced from PubChem (CID 59017032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).