1-tert-butyl-6-propan-2-yl-3,6-dihydro-2H-pyridine

C12H23N — CID 126624380

IUPAC1-tert-butyl-6-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)C1C=CCCN1C(C)(C)C
InChIInChI=1S/C12H23N/c1-10(2)11-8-6-7-9-13(11)12(3,4)5/h6,8,10-11H,7,9H2,1-5H3
InChIKeyAHIPDRQDXDDVLB-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.07
Rot. Bonds1

About 1-tert-butyl-6-propan-2-yl-3,6-dihydro-2H-pyridine

1-tert-butyl-6-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 126624380) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-tert-butyl-6-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-tert-butyl-6-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID126624380
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-tert-butyl-6-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)C1C=CCCN1C(C)(C)C
InChIInChI=1S/C12H23N/c1-10(2)11-8-6-7-9-13(11)12(3,4)5/h6,8,10-11H,7,9H2,1-5H3
InChIKeyAHIPDRQDXDDVLB-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-tert-butyl-6-propan-2-yl-3,6-dihydro-2H-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 1-tert-butyl-6-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-tert-butyl-6-propan-2-yl-3,6-dihydro-2H-pyridine (CID 126624380) is 1-tert-butyl-6-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-tert-butyl-6-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-tert-butyl-6-propan-2-yl-3,6-dihydro-2H-pyridine is CC(C)C1C=CCCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-6-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is AHIPDRQDXDDVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)11-8-6-7-9-13(11)12(3,4)5/h6,8,10-11H,7,9H2,1-5H3.
What are the key properties of 1-tert-butyl-6-propan-2-yl-3,6-dihydro-2H-pyridine?
1-tert-butyl-6-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 181.32 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 126624380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).