2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine

C12H23N — CID 155933595

IUPAC2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine
SMILESCC(C)N1C(C)(C)C=CCC1(C)C
InChIInChI=1S/C12H23N/c1-10(2)13-11(3,4)8-7-9-12(13,5)6/h7-8,10H,9H2,1-6H3
InChIKeyXDOFAXDWZIQDLE-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.21
Rot. Bonds1

About 2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine

2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine (PubChem CID 155933595) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine
PubChem CID155933595
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine
SMILESCC(C)N1C(C)(C)C=CCC1(C)C
InChIInChI=1S/C12H23N/c1-10(2)13-11(3,4)8-7-9-12(13,5)6/h7-8,10H,9H2,1-6H3
InChIKeyXDOFAXDWZIQDLE-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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 2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine?
The IUPAC name of 2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine (CID 155933595) is 2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine is CC(C)N1C(C)(C)C=CCC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine?
The InChIKey is XDOFAXDWZIQDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)13-11(3,4)8-7-9-12(13,5)6/h7-8,10H,9H2,1-6H3.
What are the key properties of 2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine?
2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine has a molecular weight of 181.32 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine is sourced from PubChem (CID 155933595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).