4-but-2-en-2-yl-1-hexan-2-yl-4-methylpyridine

C16H27N — CID 123702151

IUPAC4-but-2-en-2-yl-1-hexan-2-yl-4-methylpyridine
SMILESCC=C(C)C1(C)C=CN(C(C)CCCC)C=C1
InChIInChI=1S/C16H27N/c1-6-8-9-15(4)17-12-10-16(5,11-13-17)14(3)7-2/h7,10-13,15H,6,8-9H2,1-5H3
InChIKeyPRTOJMAOJZMPMO-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.88
Rot. Bonds5

About 4-but-2-en-2-yl-1-hexan-2-yl-4-methylpyridine

4-but-2-en-2-yl-1-hexan-2-yl-4-methylpyridine (PubChem CID 123702151) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-but-2-en-2-yl-1-hexan-2-yl-4-methylpyridine.

Molecular Properties

Compound Name4-but-2-en-2-yl-1-hexan-2-yl-4-methylpyridine
PubChem CID123702151
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-but-2-en-2-yl-1-hexan-2-yl-4-methylpyridine
SMILESCC=C(C)C1(C)C=CN(C(C)CCCC)C=C1
InChIInChI=1S/C16H27N/c1-6-8-9-15(4)17-12-10-16(5,11-13-17)14(3)7-2/h7,10-13,15H,6,8-9H2,1-5H3
InChIKeyPRTOJMAOJZMPMO-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.88
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-2-en-2-yl-1-hexan-2-yl-4-methylpyridine?
The IUPAC name of 4-but-2-en-2-yl-1-hexan-2-yl-4-methylpyridine (CID 123702151) is 4-but-2-en-2-yl-1-hexan-2-yl-4-methylpyridine.
What is the SMILES notation for 4-but-2-en-2-yl-1-hexan-2-yl-4-methylpyridine?
The canonical SMILES for 4-but-2-en-2-yl-1-hexan-2-yl-4-methylpyridine is CC=C(C)C1(C)C=CN(C(C)CCCC)C=C1.
What is the InChIKey of 4-but-2-en-2-yl-1-hexan-2-yl-4-methylpyridine?
The InChIKey is PRTOJMAOJZMPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-8-9-15(4)17-12-10-16(5,11-13-17)14(3)7-2/h7,10-13,15H,6,8-9H2,1-5H3.
What are the key properties of 4-but-2-en-2-yl-1-hexan-2-yl-4-methylpyridine?
4-but-2-en-2-yl-1-hexan-2-yl-4-methylpyridine has a molecular weight of 233.40 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-en-2-yl-1-hexan-2-yl-4-methylpyridine is sourced from PubChem (CID 123702151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).