4-(5-methylundecan-5-yl)pyridine

C17H29N — CID 146178387

IUPAC4-(5-methylundecan-5-yl)pyridine
SMILESCCCCCCC(C)(CCCC)c1ccncc1
InChIInChI=1S/C17H29N/c1-4-6-8-9-13-17(3,12-7-5-2)16-10-14-18-15-11-16/h10-11,14-15H,4-9,12-13H2,1-3H3
InChIKeyROTLVJINUNLLTB-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.50
Rot. Bonds9

About 4-(5-methylundecan-5-yl)pyridine

4-(5-methylundecan-5-yl)pyridine (PubChem CID 146178387) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4-(5-methylundecan-5-yl)pyridine.

Molecular Properties

Compound Name4-(5-methylundecan-5-yl)pyridine
PubChem CID146178387
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4-(5-methylundecan-5-yl)pyridine
SMILESCCCCCCC(C)(CCCC)c1ccncc1
InChIInChI=1S/C17H29N/c1-4-6-8-9-13-17(3,12-7-5-2)16-10-14-18-15-11-16/h10-11,14-15H,4-9,12-13H2,1-3H3
InChIKeyROTLVJINUNLLTB-UHFFFAOYSA-N
XLogP5.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.50
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-(7-methyltridecan-7-yl)pyridazine
CID 146508245
4-methyl-3-(6-methyldodecan-6-yl)pyridine
CID 134177281
4-(7-methyltridecan-7-yl)pyrimidine
CID 126624853
3-(5-methylnonan-5-yl)pyridine
CID 139543665
2-fluoro-4-(4-methyldecan-4-yl)pyridine
CID 166909360
4-(5-methylundecan-5-yl)-1H-pyrazole
CID 139543634
3-fluoro-2-(5-methylundecan-5-yl)pyridine
CID 155261820
1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene
CID 146621194
3-(2-methyloctan-2-yl)pyridine
CID 126558457
5-(5-methylundecan-5-yl)-1H-imidazole
CID 166683864
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
4-(2-pyridin-4-ylpropan-2-yl)pyridine
CID 20584229

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylundecan-5-yl)pyridine?
The IUPAC name of 4-(5-methylundecan-5-yl)pyridine (CID 146178387) is 4-(5-methylundecan-5-yl)pyridine.
What is the SMILES notation for 4-(5-methylundecan-5-yl)pyridine?
The canonical SMILES for 4-(5-methylundecan-5-yl)pyridine is CCCCCCC(C)(CCCC)c1ccncc1.
What is the InChIKey of 4-(5-methylundecan-5-yl)pyridine?
The InChIKey is ROTLVJINUNLLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-6-8-9-13-17(3,12-7-5-2)16-10-14-18-15-11-16/h10-11,14-15H,4-9,12-13H2,1-3H3.
What are the key properties of 4-(5-methylundecan-5-yl)pyridine?
4-(5-methylundecan-5-yl)pyridine has a molecular weight of 247.43 g/mol, XLogP of 5.50, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylundecan-5-yl)pyridine is sourced from PubChem (CID 146178387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).