5-tert-butyl-3,3-dimethyl-2H-pyridine

C11H19N — CID 153401921

IUPAC5-tert-butyl-3,3-dimethyl-2H-pyridine
SMILESCC1(C)C=C(C(C)(C)C)C=NC1
InChIInChI=1S/C11H19N/c1-10(2,3)9-6-11(4,5)8-12-7-9/h6-7H,8H2,1-5H3
InChIKeyUDFHPKJWOQXDDO-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.07
Rot. Bonds

About 5-tert-butyl-3,3-dimethyl-2H-pyridine

5-tert-butyl-3,3-dimethyl-2H-pyridine (PubChem CID 153401921) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 5-tert-butyl-3,3-dimethyl-2H-pyridine.

Molecular Properties

Compound Name5-tert-butyl-3,3-dimethyl-2H-pyridine
PubChem CID153401921
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name5-tert-butyl-3,3-dimethyl-2H-pyridine
SMILESCC1(C)C=C(C(C)(C)C)C=NC1
InChIInChI=1S/C11H19N/c1-10(2,3)9-6-11(4,5)8-12-7-9/h6-7H,8H2,1-5H3
InChIKeyUDFHPKJWOQXDDO-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
3,6-ditert-butyl-2H-azepine
CID 14927386
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(E)-N,2-dimethylpent-2-en-1-imine
CID 12475952
(E)-N-ethyl-3,4,4-trimethylpent-2-en-1-imine
CID 14919831
5-ethenyl-3,5-diethyl-2H-pyridine
CID 21445150
5-Methyl-2,3-dihydropyridine
CID 53854191
3,5-Diethyl-2,3-dihydropyridine
CID 54235037
5-methyl-3H-pyridin-1-ium
CID 57233424
4-tert-butyl-2H-pyrrole
CID 59058981
(Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine
CID 59179886

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3,3-dimethyl-2H-pyridine?
The IUPAC name of 5-tert-butyl-3,3-dimethyl-2H-pyridine (CID 153401921) is 5-tert-butyl-3,3-dimethyl-2H-pyridine.
What is the SMILES notation for 5-tert-butyl-3,3-dimethyl-2H-pyridine?
The canonical SMILES for 5-tert-butyl-3,3-dimethyl-2H-pyridine is CC1(C)C=C(C(C)(C)C)C=NC1.
What is the InChIKey of 5-tert-butyl-3,3-dimethyl-2H-pyridine?
The InChIKey is UDFHPKJWOQXDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10(2,3)9-6-11(4,5)8-12-7-9/h6-7H,8H2,1-5H3.
What are the key properties of 5-tert-butyl-3,3-dimethyl-2H-pyridine?
5-tert-butyl-3,3-dimethyl-2H-pyridine has a molecular weight of 165.28 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3,3-dimethyl-2H-pyridine is sourced from PubChem (CID 153401921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).