1-(2-methylpropyl)-3,6-dihydro-2H-pyridine

C9H17N — CID 15889234

IUPAC1-(2-methylpropyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)CN1CC=CCC1
InChIInChI=1S/C9H17N/c1-9(2)8-10-6-4-3-5-7-10/h3-4,9H,5-8H2,1-2H3
InChIKeyGQQQNOISXWSRTH-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.90
Rot. Bonds2

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

1-(2-methylpropyl)-3,6-dihydro-2H-pyridine (PubChem CID 15889234) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-methylpropyl)-3,6-dihydro-2H-pyridine
PubChem CID15889234
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-(2-methylpropyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)CN1CC=CCC1
InChIInChI=1S/C9H17N/c1-9(2)8-10-6-4-3-5-7-10/h3-4,9H,5-8H2,1-2H3
InChIKeyGQQQNOISXWSRTH-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.90
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-(2-methylpropyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-methylpropyl)-3,6-dihydro-2H-pyridine (CID 15889234) is 1-(2-methylpropyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-methylpropyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-methylpropyl)-3,6-dihydro-2H-pyridine is CC(C)CN1CC=CCC1.
What is the InChIKey of 1-(2-methylpropyl)-3,6-dihydro-2H-pyridine?
The InChIKey is GQQQNOISXWSRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-9(2)8-10-6-4-3-5-7-10/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3,6-dihydro-2H-pyridine?
1-(2-methylpropyl)-3,6-dihydro-2H-pyridine has a molecular weight of 139.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 15889234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).