5-ethenyl-6-(1-hexoxyethyl)-1-methyl-3,4-dihydro-2H-pyridine

C16H29NO — CID 142182799

IUPAC5-ethenyl-6-(1-hexoxyethyl)-1-methyl-3,4-dihydro-2H-pyridine
SMILESC=CC1=C(C(C)OCCCCCC)N(C)CCC1
InChIInChI=1S/C16H29NO/c1-5-7-8-9-13-18-14(3)16-15(6-2)11-10-12-17(16)4/h6,14H,2,5,7-13H2,1,3-4H3
InChIKeyGUSSNWRURORODZ-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.14
Rot. Bonds8

About 5-ethenyl-6-(1-hexoxyethyl)-1-methyl-3,4-dihydro-2H-pyridine

5-ethenyl-6-(1-hexoxyethyl)-1-methyl-3,4-dihydro-2H-pyridine (PubChem CID 142182799) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 5-ethenyl-6-(1-hexoxyethyl)-1-methyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-ethenyl-6-(1-hexoxyethyl)-1-methyl-3,4-dihydro-2H-pyridine
PubChem CID142182799
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name5-ethenyl-6-(1-hexoxyethyl)-1-methyl-3,4-dihydro-2H-pyridine
SMILESC=CC1=C(C(C)OCCCCCC)N(C)CCC1
InChIInChI=1S/C16H29NO/c1-5-7-8-9-13-18-14(3)16-15(6-2)11-10-12-17(16)4/h6,14H,2,5,7-13H2,1,3-4H3
InChIKeyGUSSNWRURORODZ-UHFFFAOYSA-N
XLogP4.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-(1-hexoxyethyl)-1-methyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 5-ethenyl-6-(1-hexoxyethyl)-1-methyl-3,4-dihydro-2H-pyridine (CID 142182799) is 5-ethenyl-6-(1-hexoxyethyl)-1-methyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 5-ethenyl-6-(1-hexoxyethyl)-1-methyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 5-ethenyl-6-(1-hexoxyethyl)-1-methyl-3,4-dihydro-2H-pyridine is C=CC1=C(C(C)OCCCCCC)N(C)CCC1.
What is the InChIKey of 5-ethenyl-6-(1-hexoxyethyl)-1-methyl-3,4-dihydro-2H-pyridine?
The InChIKey is GUSSNWRURORODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-5-7-8-9-13-18-14(3)16-15(6-2)11-10-12-17(16)4/h6,14H,2,5,7-13H2,1,3-4H3.
What are the key properties of 5-ethenyl-6-(1-hexoxyethyl)-1-methyl-3,4-dihydro-2H-pyridine?
5-ethenyl-6-(1-hexoxyethyl)-1-methyl-3,4-dihydro-2H-pyridine has a molecular weight of 251.41 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-(1-hexoxyethyl)-1-methyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 142182799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).