6-butyl-5,5-dimethyl-3,4-dihydro-2H-pyridine

C11H21N — CID 11286681

IUPAC6-butyl-5,5-dimethyl-3,4-dihydro-2H-pyridine
SMILESCCCCC1=NCCCC1(C)C
InChIInChI=1S/C11H21N/c1-4-5-7-10-11(2,3)8-6-9-12-10/h4-9H2,1-3H3
InChIKeyYRYFWERZEFGMGS-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.44
Rot. Bonds3

About 6-butyl-5,5-dimethyl-3,4-dihydro-2H-pyridine

6-butyl-5,5-dimethyl-3,4-dihydro-2H-pyridine (PubChem CID 11286681) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 6-butyl-5,5-dimethyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name6-butyl-5,5-dimethyl-3,4-dihydro-2H-pyridine
PubChem CID11286681
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name6-butyl-5,5-dimethyl-3,4-dihydro-2H-pyridine
SMILESCCCCC1=NCCCC1(C)C
InChIInChI=1S/C11H21N/c1-4-5-7-10-11(2,3)8-6-9-12-10/h4-9H2,1-3H3
InChIKeyYRYFWERZEFGMGS-UHFFFAOYSA-N
XLogP3.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-5,5-dimethyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 6-butyl-5,5-dimethyl-3,4-dihydro-2H-pyridine (CID 11286681) is 6-butyl-5,5-dimethyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 6-butyl-5,5-dimethyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 6-butyl-5,5-dimethyl-3,4-dihydro-2H-pyridine is CCCCC1=NCCCC1(C)C.
What is the InChIKey of 6-butyl-5,5-dimethyl-3,4-dihydro-2H-pyridine?
The InChIKey is YRYFWERZEFGMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-5-7-10-11(2,3)8-6-9-12-10/h4-9H2,1-3H3.
What are the key properties of 6-butyl-5,5-dimethyl-3,4-dihydro-2H-pyridine?
6-butyl-5,5-dimethyl-3,4-dihydro-2H-pyridine has a molecular weight of 167.30 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5,5-dimethyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 11286681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).