1-tert-butyl-4,5-dimethyl-2-methylidenepyridine

C12H19N — CID 58821035

IUPAC1-tert-butyl-4,5-dimethyl-2-methylidenepyridine
SMILESC=C1C=C(C)C(C)=CN1C(C)(C)C
InChIInChI=1S/C12H19N/c1-9-7-11(3)13(8-10(9)2)12(4,5)6/h7-8H,3H2,1-2,4-6H3
InChIKeyQUALMDDHYKNBJW-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.46
Rot. Bonds

About 1-tert-butyl-4,5-dimethyl-2-methylidenepyridine

1-tert-butyl-4,5-dimethyl-2-methylidenepyridine (PubChem CID 58821035) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-tert-butyl-4,5-dimethyl-2-methylidenepyridine.

Molecular Properties

Compound Name1-tert-butyl-4,5-dimethyl-2-methylidenepyridine
PubChem CID58821035
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-tert-butyl-4,5-dimethyl-2-methylidenepyridine
SMILESC=C1C=C(C)C(C)=CN1C(C)(C)C
InChIInChI=1S/C12H19N/c1-9-7-11(3)13(8-10(9)2)12(4,5)6/h7-8H,3H2,1-2,4-6H3
InChIKeyQUALMDDHYKNBJW-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,5-dimethyl-2-methylidenepyridine?
The IUPAC name of 1-tert-butyl-4,5-dimethyl-2-methylidenepyridine (CID 58821035) is 1-tert-butyl-4,5-dimethyl-2-methylidenepyridine.
What is the SMILES notation for 1-tert-butyl-4,5-dimethyl-2-methylidenepyridine?
The canonical SMILES for 1-tert-butyl-4,5-dimethyl-2-methylidenepyridine is C=C1C=C(C)C(C)=CN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4,5-dimethyl-2-methylidenepyridine?
The InChIKey is QUALMDDHYKNBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9-7-11(3)13(8-10(9)2)12(4,5)6/h7-8H,3H2,1-2,4-6H3.
What are the key properties of 1-tert-butyl-4,5-dimethyl-2-methylidenepyridine?
1-tert-butyl-4,5-dimethyl-2-methylidenepyridine has a molecular weight of 177.29 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,5-dimethyl-2-methylidenepyridine is sourced from PubChem (CID 58821035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).