2-oct-1-ynyl-4-propan-2-ylpyridine

C16H23N — CID 102340215

IUPAC2-oct-1-ynyl-4-propan-2-ylpyridine
SMILESCCCCCCC#Cc1cc(C(C)C)ccn1
InChIInChI=1S/C16H23N/c1-4-5-6-7-8-9-10-16-13-15(14(2)3)11-12-17-16/h11-14H,4-8H2,1-3H3
InChIKeyRKKGSLQHKOHOBW-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.53
Rot. Bonds5

About 2-oct-1-ynyl-4-propan-2-ylpyridine

2-oct-1-ynyl-4-propan-2-ylpyridine (PubChem CID 102340215) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-oct-1-ynyl-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-oct-1-ynyl-4-propan-2-ylpyridine
PubChem CID102340215
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-oct-1-ynyl-4-propan-2-ylpyridine
SMILESCCCCCCC#Cc1cc(C(C)C)ccn1
InChIInChI=1S/C16H23N/c1-4-5-6-7-8-9-10-16-13-15(14(2)3)11-12-17-16/h11-14H,4-8H2,1-3H3
InChIKeyRKKGSLQHKOHOBW-UHFFFAOYSA-N
XLogP4.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-oct-1-ynylpyridine
CID 12931148
1-non-1-ynyl-4-propan-2-ylbenzene
CID 146003569
2-dec-1-ynylpyrimidine
CID 71528041
1-oct-1-ynoxy-4-propan-2-ylbenzene
CID 135069050
2-[2-(3-methylphenyl)ethynyl]-4-propan-2-ylpyridine
CID 166028695
4-(octan-2-ylamino)pyridine-2-carbonitrile
CID 62924662
1,2-bis(oct-1-ynyl)benzene
CID 11087701
1,2,4-trimethyl-5-oct-1-ynylbenzene
CID 146003804
tridec-1-ynylbenzene
CID 19991064
5-(4-amino-2-pyridinyl)pent-4-yn-1-ol
CID 122243018
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
CID 166491542
CID 166491542

Frequently Asked Questions

What is the IUPAC name of 2-oct-1-ynyl-4-propan-2-ylpyridine?
The IUPAC name of 2-oct-1-ynyl-4-propan-2-ylpyridine (CID 102340215) is 2-oct-1-ynyl-4-propan-2-ylpyridine.
What is the SMILES notation for 2-oct-1-ynyl-4-propan-2-ylpyridine?
The canonical SMILES for 2-oct-1-ynyl-4-propan-2-ylpyridine is CCCCCCC#Cc1cc(C(C)C)ccn1.
What is the InChIKey of 2-oct-1-ynyl-4-propan-2-ylpyridine?
The InChIKey is RKKGSLQHKOHOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-5-6-7-8-9-10-16-13-15(14(2)3)11-12-17-16/h11-14H,4-8H2,1-3H3.
What are the key properties of 2-oct-1-ynyl-4-propan-2-ylpyridine?
2-oct-1-ynyl-4-propan-2-ylpyridine has a molecular weight of 229.37 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oct-1-ynyl-4-propan-2-ylpyridine is sourced from PubChem (CID 102340215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).