3-pentyl-2,5-dipropylpyridine

C16H27N — CID 174744841

IUPAC3-pentyl-2,5-dipropylpyridine
SMILESCCCCCc1cc(CCC)cnc1CCC
InChIInChI=1S/C16H27N/c1-4-7-8-11-15-12-14(9-5-2)13-17-16(15)10-6-3/h12-13H,4-11H2,1-3H3
InChIKeySPEIDIRTRRKLME-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.72
Rot. Bonds8

About 3-pentyl-2,5-dipropylpyridine

3-pentyl-2,5-dipropylpyridine (PubChem CID 174744841) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-pentyl-2,5-dipropylpyridine.

Molecular Properties

Compound Name3-pentyl-2,5-dipropylpyridine
PubChem CID174744841
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-pentyl-2,5-dipropylpyridine
SMILESCCCCCc1cc(CCC)cnc1CCC
InChIInChI=1S/C16H27N/c1-4-7-8-11-15-12-14(9-5-2)13-17-16(15)10-6-3/h12-13H,4-11H2,1-3H3
InChIKeySPEIDIRTRRKLME-UHFFFAOYSA-N
XLogP4.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.72
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

2,6-diheptyl-4-propylpyridine
CID 91426264
5-ethyl-3-fluoro-2-heptylpyridine
CID 71032400
2-chloro-3-(chloromethyl)-5-pentylpyridine
CID 44613258
3-heptyl-4-(5-heptylpyrimidin-2-yl)benzenethiol
CID 135674976
5-butyl-1,2,3-tridodecylbenzene
CID 91450595
2,4,6-triheptylphenol
CID 139692303
5-ethyl-1,2,3-tri(tetracosyl)benzene
CID 90881176
2-ethyl-6-pentyl-4-propylphenol
CID 66878892
2,5-dichloro-3-hexylpyridine
CID 87077345
1-ethyl-3-heptyl-5-propylbenzene
CID 141210303
5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
CID 14048482
4-butyl-2,6-didodecylphenol
CID 66619638

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-2,5-dipropylpyridine?
The IUPAC name of 3-pentyl-2,5-dipropylpyridine (CID 174744841) is 3-pentyl-2,5-dipropylpyridine.
What is the SMILES notation for 3-pentyl-2,5-dipropylpyridine?
The canonical SMILES for 3-pentyl-2,5-dipropylpyridine is CCCCCc1cc(CCC)cnc1CCC.
What is the InChIKey of 3-pentyl-2,5-dipropylpyridine?
The InChIKey is SPEIDIRTRRKLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-7-8-11-15-12-14(9-5-2)13-17-16(15)10-6-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 3-pentyl-2,5-dipropylpyridine?
3-pentyl-2,5-dipropylpyridine has a molecular weight of 233.40 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-2,5-dipropylpyridine is sourced from PubChem (CID 174744841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).