1-butyl-3,6-dihydro-2H-pyridine

C9H17N — CID 15889233

IUPAC1-butyl-3,6-dihydro-2H-pyridine
SMILESCCCCN1CC=CCC1
InChIInChI=1S/C9H17N/c1-2-3-7-10-8-5-4-6-9-10/h4-5H,2-3,6-9H2,1H3
InChIKeyNUTSKRXOKJEZHQ-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds3

About 1-butyl-3,6-dihydro-2H-pyridine

1-butyl-3,6-dihydro-2H-pyridine (PubChem CID 15889233) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-butyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-butyl-3,6-dihydro-2H-pyridine
PubChem CID15889233
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-butyl-3,6-dihydro-2H-pyridine
SMILESCCCCN1CC=CCC1
InChIInChI=1S/C9H17N/c1-2-3-7-10-8-5-4-6-9-10/h4-5H,2-3,6-9H2,1H3
InChIKeyNUTSKRXOKJEZHQ-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-butyl-3,6-dihydro-2H-pyridine (CID 15889233) is 1-butyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-butyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-butyl-3,6-dihydro-2H-pyridine is CCCCN1CC=CCC1.
What is the InChIKey of 1-butyl-3,6-dihydro-2H-pyridine?
The InChIKey is NUTSKRXOKJEZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-3-7-10-8-5-4-6-9-10/h4-5H,2-3,6-9H2,1H3.
What are the key properties of 1-butyl-3,6-dihydro-2H-pyridine?
1-butyl-3,6-dihydro-2H-pyridine has a molecular weight of 139.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 15889233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).