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

C10H19N — CID 11974287

IUPAC6-butyl-6-methyl-2,3-dihydro-1H-pyridine
SMILESCCCCC1(C)C=CCCN1
InChIInChI=1S/C10H19N/c1-3-4-7-10(2)8-5-6-9-11-10/h5,8,11H,3-4,6-7,9H2,1-2H3
InChIKeyBQDOZHSIVMVODR-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.48
Rot. Bonds3

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

6-butyl-6-methyl-2,3-dihydro-1H-pyridine (PubChem CID 11974287) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 6-butyl-6-methyl-2,3-dihydro-1H-pyridine.

Molecular Properties

Compound Name6-butyl-6-methyl-2,3-dihydro-1H-pyridine
PubChem CID11974287
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name6-butyl-6-methyl-2,3-dihydro-1H-pyridine
SMILESCCCCC1(C)C=CCCN1
InChIInChI=1S/C10H19N/c1-3-4-7-10(2)8-5-6-9-11-10/h5,8,11H,3-4,6-7,9H2,1-2H3
InChIKeyBQDOZHSIVMVODR-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
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 6-butyl-6-methyl-2,3-dihydro-1H-pyridine?
The IUPAC name of 6-butyl-6-methyl-2,3-dihydro-1H-pyridine (CID 11974287) is 6-butyl-6-methyl-2,3-dihydro-1H-pyridine.
What is the SMILES notation for 6-butyl-6-methyl-2,3-dihydro-1H-pyridine?
The canonical SMILES for 6-butyl-6-methyl-2,3-dihydro-1H-pyridine is CCCCC1(C)C=CCCN1.
What is the InChIKey of 6-butyl-6-methyl-2,3-dihydro-1H-pyridine?
The InChIKey is BQDOZHSIVMVODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-4-7-10(2)8-5-6-9-11-10/h5,8,11H,3-4,6-7,9H2,1-2H3.
What are the key properties of 6-butyl-6-methyl-2,3-dihydro-1H-pyridine?
6-butyl-6-methyl-2,3-dihydro-1H-pyridine has a molecular weight of 153.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-6-methyl-2,3-dihydro-1H-pyridine is sourced from PubChem (CID 11974287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).