3,4-dimethyl-2-pentylpyridine

C12H19N — CID 86118015

IUPAC3,4-dimethyl-2-pentylpyridine
SMILESCCCCCc1nccc(C)c1C
InChIInChI=1S/C12H19N/c1-4-5-6-7-12-11(3)10(2)8-9-13-12/h8-9H,4-7H2,1-3H3
InChIKeyKDQRJYZVUPJROD-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.43
Rot. Bonds4

About 3,4-dimethyl-2-pentylpyridine

3,4-dimethyl-2-pentylpyridine (PubChem CID 86118015) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3,4-dimethyl-2-pentylpyridine.

Molecular Properties

Compound Name3,4-dimethyl-2-pentylpyridine
PubChem CID86118015
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3,4-dimethyl-2-pentylpyridine
SMILESCCCCCc1nccc(C)c1C
InChIInChI=1S/C12H19N/c1-4-5-6-7-12-11(3)10(2)8-9-13-12/h8-9H,4-7H2,1-3H3
InChIKeyKDQRJYZVUPJROD-UHFFFAOYSA-N
XLogP3.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.43
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

azane;2-butyl-3-methylpyridine
CID 175305988
2-decyl-3,4-diethylpyridine
CID 150975827
2-butyl-4-methylpyridine-3-carboxamide
CID 68808466
4-chloro-3-ethyl-2-hexadecylpyridine
CID 141449110
1-dodecylisoquinoline;hydroiodide
CID 173144441
2-hexyl-3-methylpyridine;methanesulfonic acid
CID 174850851
2-dodecyl-3-ethylpyridine
CID 160514040
2-octylpyridin-3-amine
CID 23131469
2-hexyl-3-hydroxypyridine-4-carbonitrile
CID 146507438
(3-pentyl-2-pyridinyl)methanol
CID 166644621
4,5,6-trioctylpyrimidine
CID 91147699
4,5,6-tri(nonadecyl)pyrimidine
CID 91803097

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-pentylpyridine?
The IUPAC name of 3,4-dimethyl-2-pentylpyridine (CID 86118015) is 3,4-dimethyl-2-pentylpyridine.
What is the SMILES notation for 3,4-dimethyl-2-pentylpyridine?
The canonical SMILES for 3,4-dimethyl-2-pentylpyridine is CCCCCc1nccc(C)c1C.
What is the InChIKey of 3,4-dimethyl-2-pentylpyridine?
The InChIKey is KDQRJYZVUPJROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-5-6-7-12-11(3)10(2)8-9-13-12/h8-9H,4-7H2,1-3H3.
What are the key properties of 3,4-dimethyl-2-pentylpyridine?
3,4-dimethyl-2-pentylpyridine has a molecular weight of 177.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-pentylpyridine is sourced from PubChem (CID 86118015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).