4-tert-butyl-2-pentylpyridine

C14H23N — CID 129189676

IUPAC4-tert-butyl-2-pentylpyridine
SMILESCCCCCc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C14H23N/c1-5-6-7-8-13-11-12(9-10-15-13)14(2,3)4/h9-11H,5-8H2,1-4H3
InChIKeyZADPTUQYGFMAKR-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.11
Rot. Bonds4

About 4-tert-butyl-2-pentylpyridine

4-tert-butyl-2-pentylpyridine (PubChem CID 129189676) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-tert-butyl-2-pentylpyridine.

Molecular Properties

Compound Name4-tert-butyl-2-pentylpyridine
PubChem CID129189676
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name4-tert-butyl-2-pentylpyridine
SMILESCCCCCc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C14H23N/c1-5-6-7-8-13-11-12(9-10-15-13)14(2,3)4/h9-11H,5-8H2,1-4H3
InChIKeyZADPTUQYGFMAKR-UHFFFAOYSA-N
XLogP4.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.11
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-(2,2-dimethylpropyl)-2-pentylpyridine
CID 129191478
2-decyl-4-ethylpyridine;tetradecane
CID 174509045
4-chloro-2-heptylpyridine
CID 166820805
4-(4-chlorophenyl)-2-pentylpyridine
CID 146458832
(4-tert-butyl-2-pyridinyl)methanol
CID 18799645
1-(4-tert-butyl-2-pyridinyl)-2-methylpropan-2-amine
CID 130305406
2-tetradecylpyridine-4-carbonyl chloride
CID 154124340
4,6-di(pentadecyl)pyrimidine
CID 91242686
4,6-di(tridecyl)pyrimidine
CID 91541522
4,6-dihexadecylpyrimidine
CID 91309058
2-undecylpyridine
CID 66882765
CID 67485897
CID 67485897

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-pentylpyridine?
The IUPAC name of 4-tert-butyl-2-pentylpyridine (CID 129189676) is 4-tert-butyl-2-pentylpyridine.
What is the SMILES notation for 4-tert-butyl-2-pentylpyridine?
The canonical SMILES for 4-tert-butyl-2-pentylpyridine is CCCCCc1cc(C(C)(C)C)ccn1.
What is the InChIKey of 4-tert-butyl-2-pentylpyridine?
The InChIKey is ZADPTUQYGFMAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-6-7-8-13-11-12(9-10-15-13)14(2,3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-2-pentylpyridine?
4-tert-butyl-2-pentylpyridine has a molecular weight of 205.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-pentylpyridine is sourced from PubChem (CID 129189676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).