4,4-dimethyl-6-(2-methylpropyl)-2,3-dihydro-1H-pyridine

C11H21N — CID 67934991

IUPAC4,4-dimethyl-6-(2-methylpropyl)-2,3-dihydro-1H-pyridine
SMILESCC(C)CC1=CC(C)(C)CCN1
InChIInChI=1S/C11H21N/c1-9(2)7-10-8-11(3,4)5-6-12-10/h8-9,12H,5-7H2,1-4H3
InChIKeyQTSOVUHFDPUQHU-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.94
Rot. Bonds2

About 4,4-dimethyl-6-(2-methylpropyl)-2,3-dihydro-1H-pyridine

4,4-dimethyl-6-(2-methylpropyl)-2,3-dihydro-1H-pyridine (PubChem CID 67934991) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4,4-dimethyl-6-(2-methylpropyl)-2,3-dihydro-1H-pyridine.

Molecular Properties

Compound Name4,4-dimethyl-6-(2-methylpropyl)-2,3-dihydro-1H-pyridine
PubChem CID67934991
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4,4-dimethyl-6-(2-methylpropyl)-2,3-dihydro-1H-pyridine
SMILESCC(C)CC1=CC(C)(C)CCN1
InChIInChI=1S/C11H21N/c1-9(2)7-10-8-11(3,4)5-6-12-10/h8-9,12H,5-7H2,1-4H3
InChIKeyQTSOVUHFDPUQHU-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(2-methylpropyl)-2,3-dihydro-1H-pyridine?
The IUPAC name of 4,4-dimethyl-6-(2-methylpropyl)-2,3-dihydro-1H-pyridine (CID 67934991) is 4,4-dimethyl-6-(2-methylpropyl)-2,3-dihydro-1H-pyridine.
What is the SMILES notation for 4,4-dimethyl-6-(2-methylpropyl)-2,3-dihydro-1H-pyridine?
The canonical SMILES for 4,4-dimethyl-6-(2-methylpropyl)-2,3-dihydro-1H-pyridine is CC(C)CC1=CC(C)(C)CCN1.
What is the InChIKey of 4,4-dimethyl-6-(2-methylpropyl)-2,3-dihydro-1H-pyridine?
The InChIKey is QTSOVUHFDPUQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)7-10-8-11(3,4)5-6-12-10/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 4,4-dimethyl-6-(2-methylpropyl)-2,3-dihydro-1H-pyridine?
4,4-dimethyl-6-(2-methylpropyl)-2,3-dihydro-1H-pyridine has a molecular weight of 167.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(2-methylpropyl)-2,3-dihydro-1H-pyridine is sourced from PubChem (CID 67934991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).