1-decyl-3,5-diethyl-2-propyl-2H-pyridine

C22H41N — CID 22418683

IUPAC1-decyl-3,5-diethyl-2-propyl-2H-pyridine
SMILESCCCCCCCCCCN1C=C(CC)C=C(CC)C1CCC
InChIInChI=1S/C22H41N/c1-5-9-10-11-12-13-14-15-17-23-19-20(7-3)18-21(8-4)22(23)16-6-2/h18-19,22H,5-17H2,1-4H3
InChIKeyXHDVAAZVSMXJFJ-UHFFFAOYSA-N
MW319.58 g/mol
LogP7.24
Rot. Bonds13

About 1-decyl-3,5-diethyl-2-propyl-2H-pyridine

1-decyl-3,5-diethyl-2-propyl-2H-pyridine (PubChem CID 22418683) has the molecular formula C22H41N and a molecular weight of 319.58 g/mol. Its IUPAC name is 1-decyl-3,5-diethyl-2-propyl-2H-pyridine.

Molecular Properties

Compound Name1-decyl-3,5-diethyl-2-propyl-2H-pyridine
PubChem CID22418683
Molecular FormulaC22H41N
Molecular Weight319.58 g/mol
Exact Mass319.32
IUPAC Name1-decyl-3,5-diethyl-2-propyl-2H-pyridine
SMILESCCCCCCCCCCN1C=C(CC)C=C(CC)C1CCC
InChIInChI=1S/C22H41N/c1-5-9-10-11-12-13-14-15-17-23-19-20(7-3)18-21(8-4)22(23)16-6-2/h18-19,22H,5-17H2,1-4H3
InChIKeyXHDVAAZVSMXJFJ-UHFFFAOYSA-N
XLogP7.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.58
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-decyl-3,5-diethyl-2-propyl-2H-pyridine?
The IUPAC name of 1-decyl-3,5-diethyl-2-propyl-2H-pyridine (CID 22418683) is 1-decyl-3,5-diethyl-2-propyl-2H-pyridine.
What is the SMILES notation for 1-decyl-3,5-diethyl-2-propyl-2H-pyridine?
The canonical SMILES for 1-decyl-3,5-diethyl-2-propyl-2H-pyridine is CCCCCCCCCCN1C=C(CC)C=C(CC)C1CCC.
What is the InChIKey of 1-decyl-3,5-diethyl-2-propyl-2H-pyridine?
The InChIKey is XHDVAAZVSMXJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N/c1-5-9-10-11-12-13-14-15-17-23-19-20(7-3)18-21(8-4)22(23)16-6-2/h18-19,22H,5-17H2,1-4H3.
What are the key properties of 1-decyl-3,5-diethyl-2-propyl-2H-pyridine?
1-decyl-3,5-diethyl-2-propyl-2H-pyridine has a molecular weight of 319.58 g/mol, XLogP of 7.24, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3,5-diethyl-2-propyl-2H-pyridine is sourced from PubChem (CID 22418683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).