(6R)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine

C11H21N — CID 148889027

IUPAC(6R)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine
SMILESC[C@@H]1C(C(C)(C)C)=CCCN1C
InChIInChI=1S/C11H21N/c1-9-10(11(2,3)4)7-6-8-12(9)5/h7,9H,6,8H2,1-5H3/t9-/m1/s1
InChIKeyPENWJDCQZVXOHU-SECBINFHSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds

About (6R)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine

(6R)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine (PubChem CID 148889027) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (6R)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name(6R)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine
PubChem CID148889027
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(6R)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine
SMILESC[C@@H]1C(C(C)(C)C)=CCCN1C
InChIInChI=1S/C11H21N/c1-9-10(11(2,3)4)7-6-8-12(9)5/h7,9H,6,8H2,1-5H3/t9-/m1/s1
InChIKeyPENWJDCQZVXOHU-SECBINFHSA-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 (6R)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of (6R)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine (CID 148889027) is (6R)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for (6R)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for (6R)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine is C[C@@H]1C(C(C)(C)C)=CCCN1C.
What is the InChIKey of (6R)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is PENWJDCQZVXOHU-SECBINFHSA-N. The full InChI is InChI=1S/C11H21N/c1-9-10(11(2,3)4)7-6-8-12(9)5/h7,9H,6,8H2,1-5H3/t9-/m1/s1.
What are the key properties of (6R)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine?
(6R)-5-tert-butyl-1,6-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 (6R)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 148889027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).