3-butan-2-yl-5-propan-2-yl-2-prop-1-en-2-ylpyridine

C15H23N — CID 170059638

IUPAC3-butan-2-yl-5-propan-2-yl-2-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ncc(C(C)C)cc1C(C)CC
InChIInChI=1S/C15H23N/c1-7-12(6)14-8-13(10(2)3)9-16-15(14)11(4)5/h8-10,12H,4,7H2,1-3,5-6H3
InChIKeyPQEFWGKZVKBUDF-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.75
Rot. Bonds4

About 3-butan-2-yl-5-propan-2-yl-2-prop-1-en-2-ylpyridine

3-butan-2-yl-5-propan-2-yl-2-prop-1-en-2-ylpyridine (PubChem CID 170059638) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-butan-2-yl-5-propan-2-yl-2-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name3-butan-2-yl-5-propan-2-yl-2-prop-1-en-2-ylpyridine
PubChem CID170059638
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-butan-2-yl-5-propan-2-yl-2-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ncc(C(C)C)cc1C(C)CC
InChIInChI=1S/C15H23N/c1-7-12(6)14-8-13(10(2)3)9-16-15(14)11(4)5/h8-10,12H,4,7H2,1-3,5-6H3
InChIKeyPQEFWGKZVKBUDF-UHFFFAOYSA-N
XLogP4.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-propan-2-yl-2-prop-1-en-2-ylpyridine?
The IUPAC name of 3-butan-2-yl-5-propan-2-yl-2-prop-1-en-2-ylpyridine (CID 170059638) is 3-butan-2-yl-5-propan-2-yl-2-prop-1-en-2-ylpyridine.
What is the SMILES notation for 3-butan-2-yl-5-propan-2-yl-2-prop-1-en-2-ylpyridine?
The canonical SMILES for 3-butan-2-yl-5-propan-2-yl-2-prop-1-en-2-ylpyridine is C=C(C)c1ncc(C(C)C)cc1C(C)CC.
What is the InChIKey of 3-butan-2-yl-5-propan-2-yl-2-prop-1-en-2-ylpyridine?
The InChIKey is PQEFWGKZVKBUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-7-12(6)14-8-13(10(2)3)9-16-15(14)11(4)5/h8-10,12H,4,7H2,1-3,5-6H3.
What are the key properties of 3-butan-2-yl-5-propan-2-yl-2-prop-1-en-2-ylpyridine?
3-butan-2-yl-5-propan-2-yl-2-prop-1-en-2-ylpyridine has a molecular weight of 217.36 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-propan-2-yl-2-prop-1-en-2-ylpyridine is sourced from PubChem (CID 170059638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).