2,6-diheptyl-4-propylpyridine

C22H39N — CID 91426264

IUPAC2,6-diheptyl-4-propylpyridine
SMILESCCCCCCCc1cc(CCC)cc(CCCCCCC)n1
InChIInChI=1S/C22H39N/c1-4-7-9-11-13-16-21-18-20(15-6-3)19-22(23-21)17-14-12-10-8-5-2/h18-19H,4-17H2,1-3H3
InChIKeyKYSYFSUNLWRLFE-UHFFFAOYSA-N
MW317.56 g/mol
LogP7.06
Rot. Bonds14

About 2,6-diheptyl-4-propylpyridine

2,6-diheptyl-4-propylpyridine (PubChem CID 91426264) has the molecular formula C22H39N and a molecular weight of 317.56 g/mol. Its IUPAC name is 2,6-diheptyl-4-propylpyridine.

Molecular Properties

Compound Name2,6-diheptyl-4-propylpyridine
PubChem CID91426264
Molecular FormulaC22H39N
Molecular Weight317.56 g/mol
Exact Mass317.31
IUPAC Name2,6-diheptyl-4-propylpyridine
SMILESCCCCCCCc1cc(CCC)cc(CCCCCCC)n1
InChIInChI=1S/C22H39N/c1-4-7-9-11-13-16-21-18-20(15-6-3)19-22(23-21)17-14-12-10-8-5-2/h18-19H,4-17H2,1-3H3
InChIKeyKYSYFSUNLWRLFE-UHFFFAOYSA-N
XLogP7.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.56
LogP ≤ 57.06
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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Related Compounds

4-butyl-2,6-di(docosyl)pyridine
CID 91143668
4-methyl-2,6-dioctylpyridine
CID 66935754
4,6-di(octacosyl)-2-propylpyrimidine
CID 91419921
2-methyl-4,6-dioctylpyrimidine
CID 66935791
4,6-didodecyl-2-methylpyrimidine
CID 66935955
2-butyl-4,6-dihexylpyrimidine
CID 91010912
2-butyl-4,6-didodecylpyrimidine
CID 91545608
2,6-didodecylpyridine
CID 90943274
1-ethyl-3-heptyl-5-propylbenzene
CID 141210303
4,6-di(pentadecyl)pyrimidine
CID 91242686
4,6-di(tridecyl)pyrimidine
CID 91541522
4,6-dihexadecylpyrimidine
CID 91309058

Frequently Asked Questions

What is the IUPAC name of 2,6-diheptyl-4-propylpyridine?
The IUPAC name of 2,6-diheptyl-4-propylpyridine (CID 91426264) is 2,6-diheptyl-4-propylpyridine.
What is the SMILES notation for 2,6-diheptyl-4-propylpyridine?
The canonical SMILES for 2,6-diheptyl-4-propylpyridine is CCCCCCCc1cc(CCC)cc(CCCCCCC)n1.
What is the InChIKey of 2,6-diheptyl-4-propylpyridine?
The InChIKey is KYSYFSUNLWRLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N/c1-4-7-9-11-13-16-21-18-20(15-6-3)19-22(23-21)17-14-12-10-8-5-2/h18-19H,4-17H2,1-3H3.
What are the key properties of 2,6-diheptyl-4-propylpyridine?
2,6-diheptyl-4-propylpyridine has a molecular weight of 317.56 g/mol, XLogP of 7.06, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diheptyl-4-propylpyridine is sourced from PubChem (CID 91426264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).