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

C18H28N2 — CID 139918695

IUPAC2-propyl-2-[2-(2-propyl-1H-pyridin-2-yl)ethyl]-1H-pyridine
SMILESCCCC1(CCC2(CCC)C=CC=CN2)C=CC=CN1
InChIInChI=1S/C18H28N2/c1-3-9-17(11-5-7-15-19-17)13-14-18(10-4-2)12-6-8-16-20-18/h5-8,11-12,15-16,19-20H,3-4,9-10,13-14H2,1-2H3
InChIKeyPCCLNCVCZBUXAZ-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.19
Rot. Bonds7

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

2-propyl-2-[2-(2-propyl-1H-pyridin-2-yl)ethyl]-1H-pyridine (PubChem CID 139918695) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-propyl-2-[2-(2-propyl-1H-pyridin-2-yl)ethyl]-1H-pyridine.

Molecular Properties

Compound Name2-propyl-2-[2-(2-propyl-1H-pyridin-2-yl)ethyl]-1H-pyridine
PubChem CID139918695
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-propyl-2-[2-(2-propyl-1H-pyridin-2-yl)ethyl]-1H-pyridine
SMILESCCCC1(CCC2(CCC)C=CC=CN2)C=CC=CN1
InChIInChI=1S/C18H28N2/c1-3-9-17(11-5-7-15-19-17)13-14-18(10-4-2)12-6-8-16-20-18/h5-8,11-12,15-16,19-20H,3-4,9-10,13-14H2,1-2H3
InChIKeyPCCLNCVCZBUXAZ-UHFFFAOYSA-N
XLogP4.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-[2-(2-propyl-1H-pyridin-2-yl)ethyl]-1H-pyridine?
The IUPAC name of 2-propyl-2-[2-(2-propyl-1H-pyridin-2-yl)ethyl]-1H-pyridine (CID 139918695) is 2-propyl-2-[2-(2-propyl-1H-pyridin-2-yl)ethyl]-1H-pyridine.
What is the SMILES notation for 2-propyl-2-[2-(2-propyl-1H-pyridin-2-yl)ethyl]-1H-pyridine?
The canonical SMILES for 2-propyl-2-[2-(2-propyl-1H-pyridin-2-yl)ethyl]-1H-pyridine is CCCC1(CCC2(CCC)C=CC=CN2)C=CC=CN1.
What is the InChIKey of 2-propyl-2-[2-(2-propyl-1H-pyridin-2-yl)ethyl]-1H-pyridine?
The InChIKey is PCCLNCVCZBUXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-9-17(11-5-7-15-19-17)13-14-18(10-4-2)12-6-8-16-20-18/h5-8,11-12,15-16,19-20H,3-4,9-10,13-14H2,1-2H3.
What are the key properties of 2-propyl-2-[2-(2-propyl-1H-pyridin-2-yl)ethyl]-1H-pyridine?
2-propyl-2-[2-(2-propyl-1H-pyridin-2-yl)ethyl]-1H-pyridine has a molecular weight of 272.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-[2-(2-propyl-1H-pyridin-2-yl)ethyl]-1H-pyridine is sourced from PubChem (CID 139918695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).