4,5-dimethyl-2-nonan-3-ylpyridine

C16H27N — CID 170346032

IUPAC4,5-dimethyl-2-nonan-3-ylpyridine
SMILESCCCCCCC(CC)c1cc(C)c(C)cn1
InChIInChI=1S/C16H27N/c1-5-7-8-9-10-15(6-2)16-11-13(3)14(4)12-17-16/h11-12,15H,5-10H2,1-4H3
InChIKeyAFFMCPDAYOKAQC-UHFFFAOYSA-N
MW233.40 g/mol
LogP5.16
Rot. Bonds7

About 4,5-dimethyl-2-nonan-3-ylpyridine

4,5-dimethyl-2-nonan-3-ylpyridine (PubChem CID 170346032) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4,5-dimethyl-2-nonan-3-ylpyridine.

Molecular Properties

Compound Name4,5-dimethyl-2-nonan-3-ylpyridine
PubChem CID170346032
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4,5-dimethyl-2-nonan-3-ylpyridine
SMILESCCCCCCC(CC)c1cc(C)c(C)cn1
InChIInChI=1S/C16H27N/c1-5-7-8-9-10-15(6-2)16-11-13(3)14(4)12-17-16/h11-12,15H,5-10H2,1-4H3
InChIKeyAFFMCPDAYOKAQC-UHFFFAOYSA-N
XLogP5.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.16
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

5-ethyl-4-methyl-2-octan-3-ylpyridine
CID 174324902
4,5-dimethyl-2-pentan-3-ylpyridine
CID 126754894
1,4-dimethyl-5-nonan-3-ylpyrazole
CID 138654600
4-decan-3-ylpyrimidine
CID 170150821
2-pentadecan-3-ylpyridine;hydrochloride
CID 175583895
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
1,3-dimethyl-5-octan-3-ylbenzene
CID 19963892
1-(5-methylpyrazin-2-yl)octan-1-amine
CID 105124976
2-hexadecan-8-yl-5-methoxypyrazine
CID 146209208
1-decan-3-yl-2-methylbenzene
CID 152506171
1,3-dimethyl-2-octan-3-ylbenzene
CID 144744268
3-dodecan-6-yl-4-methylpyridine
CID 129130745

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-nonan-3-ylpyridine?
The IUPAC name of 4,5-dimethyl-2-nonan-3-ylpyridine (CID 170346032) is 4,5-dimethyl-2-nonan-3-ylpyridine.
What is the SMILES notation for 4,5-dimethyl-2-nonan-3-ylpyridine?
The canonical SMILES for 4,5-dimethyl-2-nonan-3-ylpyridine is CCCCCCC(CC)c1cc(C)c(C)cn1.
What is the InChIKey of 4,5-dimethyl-2-nonan-3-ylpyridine?
The InChIKey is AFFMCPDAYOKAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-7-8-9-10-15(6-2)16-11-13(3)14(4)12-17-16/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 4,5-dimethyl-2-nonan-3-ylpyridine?
4,5-dimethyl-2-nonan-3-ylpyridine has a molecular weight of 233.40 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-nonan-3-ylpyridine is sourced from PubChem (CID 170346032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).