4-tert-butyl-1,5-dimethyl-3,6-dihydro-2H-pyridine

C11H21N — CID 129128692

IUPAC4-tert-butyl-1,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(C(C)(C)C)CCN(C)C1
InChIInChI=1S/C11H21N/c1-9-8-12(5)7-6-10(9)11(2,3)4/h6-8H2,1-5H3
InChIKeyKKMVTNXCBXGPDE-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds

About 4-tert-butyl-1,5-dimethyl-3,6-dihydro-2H-pyridine

4-tert-butyl-1,5-dimethyl-3,6-dihydro-2H-pyridine (PubChem CID 129128692) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4-tert-butyl-1,5-dimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-tert-butyl-1,5-dimethyl-3,6-dihydro-2H-pyridine
PubChem CID129128692
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4-tert-butyl-1,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(C(C)(C)C)CCN(C)C1
InChIInChI=1S/C11H21N/c1-9-8-12(5)7-6-10(9)11(2,3)4/h6-8H2,1-5H3
InChIKeyKKMVTNXCBXGPDE-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
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 4-tert-butyl-1,5-dimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-tert-butyl-1,5-dimethyl-3,6-dihydro-2H-pyridine (CID 129128692) is 4-tert-butyl-1,5-dimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-tert-butyl-1,5-dimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-tert-butyl-1,5-dimethyl-3,6-dihydro-2H-pyridine is CC1=C(C(C)(C)C)CCN(C)C1.
What is the InChIKey of 4-tert-butyl-1,5-dimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is KKMVTNXCBXGPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9-8-12(5)7-6-10(9)11(2,3)4/h6-8H2,1-5H3.
What are the key properties of 4-tert-butyl-1,5-dimethyl-3,6-dihydro-2H-pyridine?
4-tert-butyl-1,5-dimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,5-dimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 129128692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).