1,4-ditert-butyl-2-methylidenepyridine

C14H23N — CID 23591916

IUPAC1,4-ditert-butyl-2-methylidenepyridine
SMILESC=C1C=C(C(C)(C)C)C=CN1C(C)(C)C
InChIInChI=1S/C14H23N/c1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7/h8-10H,1H2,2-7H3
InChIKeyCTIVUNQNWMATSX-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.10
Rot. Bonds

About 1,4-ditert-butyl-2-methylidenepyridine

1,4-ditert-butyl-2-methylidenepyridine (PubChem CID 23591916) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1,4-ditert-butyl-2-methylidenepyridine.

Molecular Properties

Compound Name1,4-ditert-butyl-2-methylidenepyridine
PubChem CID23591916
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1,4-ditert-butyl-2-methylidenepyridine
SMILESC=C1C=C(C(C)(C)C)C=CN1C(C)(C)C
InChIInChI=1S/C14H23N/c1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7/h8-10H,1H2,2-7H3
InChIKeyCTIVUNQNWMATSX-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-2-methylidenepyridine?
The IUPAC name of 1,4-ditert-butyl-2-methylidenepyridine (CID 23591916) is 1,4-ditert-butyl-2-methylidenepyridine.
What is the SMILES notation for 1,4-ditert-butyl-2-methylidenepyridine?
The canonical SMILES for 1,4-ditert-butyl-2-methylidenepyridine is C=C1C=C(C(C)(C)C)C=CN1C(C)(C)C.
What is the InChIKey of 1,4-ditert-butyl-2-methylidenepyridine?
The InChIKey is CTIVUNQNWMATSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7/h8-10H,1H2,2-7H3.
What are the key properties of 1,4-ditert-butyl-2-methylidenepyridine?
1,4-ditert-butyl-2-methylidenepyridine has a molecular weight of 205.34 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-2-methylidenepyridine is sourced from PubChem (CID 23591916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).