1-(3-methoxybutan-2-yl)-3,6-dihydro-2H-pyridine

C10H19NO — CID 130771109

IUPAC1-(3-methoxybutan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCOC(C)C(C)N1CC=CCC1
InChIInChI=1S/C10H19NO/c1-9(10(2)12-3)11-7-5-4-6-8-11/h4-5,9-10H,6-8H2,1-3H3
InChIKeyICIXDIDGYNDAAE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.67
Rot. Bonds3

About 1-(3-methoxybutan-2-yl)-3,6-dihydro-2H-pyridine

1-(3-methoxybutan-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 130771109) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(3-methoxybutan-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(3-methoxybutan-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID130771109
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(3-methoxybutan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCOC(C)C(C)N1CC=CCC1
InChIInChI=1S/C10H19NO/c1-9(10(2)12-3)11-7-5-4-6-8-11/h4-5,9-10H,6-8H2,1-3H3
InChIKeyICIXDIDGYNDAAE-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methoxybutan-2-yl)-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybutan-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(3-methoxybutan-2-yl)-3,6-dihydro-2H-pyridine (CID 130771109) is 1-(3-methoxybutan-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(3-methoxybutan-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(3-methoxybutan-2-yl)-3,6-dihydro-2H-pyridine is COC(C)C(C)N1CC=CCC1.
What is the InChIKey of 1-(3-methoxybutan-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is ICIXDIDGYNDAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(10(2)12-3)11-7-5-4-6-8-11/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of 1-(3-methoxybutan-2-yl)-3,6-dihydro-2H-pyridine?
1-(3-methoxybutan-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 169.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybutan-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130771109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).