4-tert-butyl-4-methyl-2,3-dihydro-1H-pyridine

C10H19N — CID 59918160

IUPAC4-tert-butyl-4-methyl-2,3-dihydro-1H-pyridine
SMILESCC(C)(C)C1(C)C=CNCC1
InChIInChI=1S/C10H19N/c1-9(2,3)10(4)5-7-11-8-6-10/h5,7,11H,6,8H2,1-4H3
InChIKeyOPXNUVVPVHVXAL-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.55
Rot. Bonds

About 4-tert-butyl-4-methyl-2,3-dihydro-1H-pyridine

4-tert-butyl-4-methyl-2,3-dihydro-1H-pyridine (PubChem CID 59918160) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 4-tert-butyl-4-methyl-2,3-dihydro-1H-pyridine.

Molecular Properties

Compound Name4-tert-butyl-4-methyl-2,3-dihydro-1H-pyridine
PubChem CID59918160
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name4-tert-butyl-4-methyl-2,3-dihydro-1H-pyridine
SMILESCC(C)(C)C1(C)C=CNCC1
InChIInChI=1S/C10H19N/c1-9(2,3)10(4)5-7-11-8-6-10/h5,7,11H,6,8H2,1-4H3
InChIKeyOPXNUVVPVHVXAL-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-tert-butyl-4-methyl-2,3-dihydro-1H-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 4-tert-butyl-4-methyl-2,3-dihydro-1H-pyridine?
The IUPAC name of 4-tert-butyl-4-methyl-2,3-dihydro-1H-pyridine (CID 59918160) is 4-tert-butyl-4-methyl-2,3-dihydro-1H-pyridine.
What is the SMILES notation for 4-tert-butyl-4-methyl-2,3-dihydro-1H-pyridine?
The canonical SMILES for 4-tert-butyl-4-methyl-2,3-dihydro-1H-pyridine is CC(C)(C)C1(C)C=CNCC1.
What is the InChIKey of 4-tert-butyl-4-methyl-2,3-dihydro-1H-pyridine?
The InChIKey is OPXNUVVPVHVXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2,3)10(4)5-7-11-8-6-10/h5,7,11H,6,8H2,1-4H3.
What are the key properties of 4-tert-butyl-4-methyl-2,3-dihydro-1H-pyridine?
4-tert-butyl-4-methyl-2,3-dihydro-1H-pyridine has a molecular weight of 153.27 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-methyl-2,3-dihydro-1H-pyridine is sourced from PubChem (CID 59918160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).