2-methylidene-4-pentyl-3,4-dihydro-1H-pyridine

C11H19N — CID 67667841

IUPAC2-methylidene-4-pentyl-3,4-dihydro-1H-pyridine
SMILESC=C1CC(CCCCC)C=CN1
InChIInChI=1S/C11H19N/c1-3-4-5-6-11-7-8-12-10(2)9-11/h7-8,11-12H,2-6,9H2,1H3
InChIKeyQNXFLRSSSZVTHR-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.20
Rot. Bonds4

About 2-methylidene-4-pentyl-3,4-dihydro-1H-pyridine

2-methylidene-4-pentyl-3,4-dihydro-1H-pyridine (PubChem CID 67667841) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-methylidene-4-pentyl-3,4-dihydro-1H-pyridine.

Molecular Properties

Compound Name2-methylidene-4-pentyl-3,4-dihydro-1H-pyridine
PubChem CID67667841
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-methylidene-4-pentyl-3,4-dihydro-1H-pyridine
SMILESC=C1CC(CCCCC)C=CN1
InChIInChI=1S/C11H19N/c1-3-4-5-6-11-7-8-12-10(2)9-11/h7-8,11-12H,2-6,9H2,1H3
InChIKeyQNXFLRSSSZVTHR-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-pentyl-3,4-dihydro-1H-pyridine?
The IUPAC name of 2-methylidene-4-pentyl-3,4-dihydro-1H-pyridine (CID 67667841) is 2-methylidene-4-pentyl-3,4-dihydro-1H-pyridine.
What is the SMILES notation for 2-methylidene-4-pentyl-3,4-dihydro-1H-pyridine?
The canonical SMILES for 2-methylidene-4-pentyl-3,4-dihydro-1H-pyridine is C=C1CC(CCCCC)C=CN1.
What is the InChIKey of 2-methylidene-4-pentyl-3,4-dihydro-1H-pyridine?
The InChIKey is QNXFLRSSSZVTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-4-5-6-11-7-8-12-10(2)9-11/h7-8,11-12H,2-6,9H2,1H3.
What are the key properties of 2-methylidene-4-pentyl-3,4-dihydro-1H-pyridine?
2-methylidene-4-pentyl-3,4-dihydro-1H-pyridine has a molecular weight of 165.28 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-pentyl-3,4-dihydro-1H-pyridine is sourced from PubChem (CID 67667841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).