2-undecylpyridine

C32H54N2 — CID 66882765

IUPAC2-undecylpyridine
SMILESCCCCCCCCCCCc1ccccn1.CCCCCCCCCCCc1ccccn1
InChIInChI=1S/2C16H27N/c2*1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17-16/h2*11-12,14-15H,2-10,13H2,1H3
InChIKeyKMBSGZLSFDIHDG-UHFFFAOYSA-N
MW466.80 g/mol
LogP10.31
Rot. Bonds20

About 2-undecylpyridine

2-undecylpyridine (PubChem CID 66882765) has the molecular formula C32H54N2 and a molecular weight of 466.80 g/mol. Its IUPAC name is 2-undecylpyridine.

Molecular Properties

Compound Name2-undecylpyridine
PubChem CID66882765
Molecular FormulaC32H54N2
Molecular Weight466.80 g/mol
Exact Mass466.43
IUPAC Name2-undecylpyridine
SMILESCCCCCCCCCCCc1ccccn1.CCCCCCCCCCCc1ccccn1
InChIInChI=1S/2C16H27N/c2*1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17-16/h2*11-12,14-15H,2-10,13H2,1H3
InChIKeyKMBSGZLSFDIHDG-UHFFFAOYSA-N
XLogP10.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.80
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tetradecylpyridine;hydrochloride
CID 45489746
2-hexadecylpyridine;hydrate
CID 141211108
azanium;2-tetradecylpyridine;bromide
CID 157411341
chromium;2-pentylpyridine;hydrochloride
CID 175220071
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
hydroxymethanone;2-undecylpyridine;zinc
CID 87363330
2-hexylpyridine;nitric acid
CID 174876958
1-dodecylpyridin-1-ium;2-hexadecylpyridine
CID 175400834
2-(2-hexylsulfanylethyl)pyridine
CID 95562090
2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
CID 158040240
2-(7-phenylheptyl)pyridine
CID 54510986
9-pyridin-2-ylnonan-1-ol
CID 12680899

Frequently Asked Questions

What is the IUPAC name of 2-undecylpyridine?
The IUPAC name of 2-undecylpyridine (CID 66882765) is 2-undecylpyridine.
What is the SMILES notation for 2-undecylpyridine?
The canonical SMILES for 2-undecylpyridine is CCCCCCCCCCCc1ccccn1.CCCCCCCCCCCc1ccccn1.
What is the InChIKey of 2-undecylpyridine?
The InChIKey is KMBSGZLSFDIHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H27N/c2*1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17-16/h2*11-12,14-15H,2-10,13H2,1H3.
What are the key properties of 2-undecylpyridine?
2-undecylpyridine has a molecular weight of 466.80 g/mol, XLogP of 10.31, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecylpyridine is sourced from PubChem (CID 66882765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).