2-propyl-2-[5-(2-propyl-1H-pyridin-2-yl)pentyl]-1H-pyridine

C21H34N2 — CID 139918705

IUPAC2-propyl-2-[5-(2-propyl-1H-pyridin-2-yl)pentyl]-1H-pyridine
SMILESCCCC1(CCCCCC2(CCC)C=CC=CN2)C=CC=CN1
InChIInChI=1S/C21H34N2/c1-3-12-20(16-8-10-18-22-20)14-6-5-7-15-21(13-4-2)17-9-11-19-23-21/h8-11,16-19,22-23H,3-7,12-15H2,1-2H3
InChIKeyOILRPHUKOMMWLK-UHFFFAOYSA-N
MW314.52 g/mol
LogP5.36
Rot. Bonds10

About 2-propyl-2-[5-(2-propyl-1H-pyridin-2-yl)pentyl]-1H-pyridine

2-propyl-2-[5-(2-propyl-1H-pyridin-2-yl)pentyl]-1H-pyridine (PubChem CID 139918705) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 2-propyl-2-[5-(2-propyl-1H-pyridin-2-yl)pentyl]-1H-pyridine.

Molecular Properties

Compound Name2-propyl-2-[5-(2-propyl-1H-pyridin-2-yl)pentyl]-1H-pyridine
PubChem CID139918705
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC Name2-propyl-2-[5-(2-propyl-1H-pyridin-2-yl)pentyl]-1H-pyridine
SMILESCCCC1(CCCCCC2(CCC)C=CC=CN2)C=CC=CN1
InChIInChI=1S/C21H34N2/c1-3-12-20(16-8-10-18-22-20)14-6-5-7-15-21(13-4-2)17-9-11-19-23-21/h8-11,16-19,22-23H,3-7,12-15H2,1-2H3
InChIKeyOILRPHUKOMMWLK-UHFFFAOYSA-N
XLogP5.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.52
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[3-(2-ethyl-1H-pyridin-2-yl)propyl]-1H-pyridine
CID 139918715
2-N,2-N'-dipropyl-1H-pyridine-2,2-diamine
CID 141225366
2-ethyl-1H-pyridin-2-ol
CID 173248006
2-methyl-1H-pyridine-2-thiol
CID 152759120
(2-heptyl-1H-pyridin-2-yl) 4-(4-hexylcyclohexyl)cyclohexane-1-carboxylate
CID 150682012
1-nonyl-2-octylcyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 174885576
CID 175978727
CID 175978727
2-(difluoromethoxy)-2-fluoro-1H-pyridine
CID 146443817
1,6-dioctadecylcyclohexa-2,4-dien-1-amine
CID 174642981
6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol
CID 141330594
6-octadecyl-7-thiabicyclo[4.1.0]hepta-2,4-dien-1-ol
CID 154087876
(2-bromo-1H-pyridin-2-yl)-trimethylsilane
CID 150592449

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-[5-(2-propyl-1H-pyridin-2-yl)pentyl]-1H-pyridine?
The IUPAC name of 2-propyl-2-[5-(2-propyl-1H-pyridin-2-yl)pentyl]-1H-pyridine (CID 139918705) is 2-propyl-2-[5-(2-propyl-1H-pyridin-2-yl)pentyl]-1H-pyridine.
What is the SMILES notation for 2-propyl-2-[5-(2-propyl-1H-pyridin-2-yl)pentyl]-1H-pyridine?
The canonical SMILES for 2-propyl-2-[5-(2-propyl-1H-pyridin-2-yl)pentyl]-1H-pyridine is CCCC1(CCCCCC2(CCC)C=CC=CN2)C=CC=CN1.
What is the InChIKey of 2-propyl-2-[5-(2-propyl-1H-pyridin-2-yl)pentyl]-1H-pyridine?
The InChIKey is OILRPHUKOMMWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c1-3-12-20(16-8-10-18-22-20)14-6-5-7-15-21(13-4-2)17-9-11-19-23-21/h8-11,16-19,22-23H,3-7,12-15H2,1-2H3.
What are the key properties of 2-propyl-2-[5-(2-propyl-1H-pyridin-2-yl)pentyl]-1H-pyridine?
2-propyl-2-[5-(2-propyl-1H-pyridin-2-yl)pentyl]-1H-pyridine has a molecular weight of 314.52 g/mol, XLogP of 5.36, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-[5-(2-propyl-1H-pyridin-2-yl)pentyl]-1H-pyridine is sourced from PubChem (CID 139918705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).