4-but-3-enyl-1,2,2,6,6-pentamethyl-3H-pyridine

C14H25N — CID 11106572

IUPAC4-but-3-enyl-1,2,2,6,6-pentamethyl-3H-pyridine
SMILESC=CCCC1=CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H25N/c1-7-8-9-12-10-13(2,3)15(6)14(4,5)11-12/h7,10H,1,8-9,11H2,2-6H3
InChIKeyZCVQNRDHZWOJFM-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.77
Rot. Bonds3

About 4-but-3-enyl-1,2,2,6,6-pentamethyl-3H-pyridine

4-but-3-enyl-1,2,2,6,6-pentamethyl-3H-pyridine (PubChem CID 11106572) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 4-but-3-enyl-1,2,2,6,6-pentamethyl-3H-pyridine.

Molecular Properties

Compound Name4-but-3-enyl-1,2,2,6,6-pentamethyl-3H-pyridine
PubChem CID11106572
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name4-but-3-enyl-1,2,2,6,6-pentamethyl-3H-pyridine
SMILESC=CCCC1=CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H25N/c1-7-8-9-12-10-13(2,3)15(6)14(4,5)11-12/h7,10H,1,8-9,11H2,2-6H3
InChIKeyZCVQNRDHZWOJFM-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.77
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 4-but-3-enyl-1,2,2,6,6-pentamethyl-3H-pyridine?
The IUPAC name of 4-but-3-enyl-1,2,2,6,6-pentamethyl-3H-pyridine (CID 11106572) is 4-but-3-enyl-1,2,2,6,6-pentamethyl-3H-pyridine.
What is the SMILES notation for 4-but-3-enyl-1,2,2,6,6-pentamethyl-3H-pyridine?
The canonical SMILES for 4-but-3-enyl-1,2,2,6,6-pentamethyl-3H-pyridine is C=CCCC1=CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 4-but-3-enyl-1,2,2,6,6-pentamethyl-3H-pyridine?
The InChIKey is ZCVQNRDHZWOJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-7-8-9-12-10-13(2,3)15(6)14(4,5)11-12/h7,10H,1,8-9,11H2,2-6H3.
What are the key properties of 4-but-3-enyl-1,2,2,6,6-pentamethyl-3H-pyridine?
4-but-3-enyl-1,2,2,6,6-pentamethyl-3H-pyridine has a molecular weight of 207.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-1,2,2,6,6-pentamethyl-3H-pyridine is sourced from PubChem (CID 11106572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).