1-hexylpyridin-2-imine

C11H18N2 — CID 12924178

IUPAC1-hexylpyridin-2-imine
SMILES[H]/N=c1\ccccn1CCCCCC
InChIInChI=1S/C11H18N2/c1-2-3-4-6-9-13-10-7-5-8-11(13)12/h5,7-8,10,12H,2-4,6,9H2,1H3/b12-11+
InChIKeyUGZCUGYVZSCAGJ-VAWYXSNFSA-N
MW178.28 g/mol
LogP2.55
Rot. Bonds5

About 1-hexylpyridin-2-imine

1-hexylpyridin-2-imine (PubChem CID 12924178) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-hexylpyridin-2-imine.

Molecular Properties

Compound Name1-hexylpyridin-2-imine
PubChem CID12924178
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-hexylpyridin-2-imine
SMILES[H]/N=c1\ccccn1CCCCCC
InChIInChI=1S/C11H18N2/c1-2-3-4-6-9-13-10-7-5-8-11(13)12/h5,7-8,10,12H,2-4,6,9H2,1H3/b12-11+
InChIKeyUGZCUGYVZSCAGJ-VAWYXSNFSA-N
XLogP2.55
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hexylpyridin-2-imine?
The IUPAC name of 1-hexylpyridin-2-imine (CID 12924178) is 1-hexylpyridin-2-imine.
What is the SMILES notation for 1-hexylpyridin-2-imine?
The canonical SMILES for 1-hexylpyridin-2-imine is [H]/N=c1\ccccn1CCCCCC.
What is the InChIKey of 1-hexylpyridin-2-imine?
The InChIKey is UGZCUGYVZSCAGJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-3-4-6-9-13-10-7-5-8-11(13)12/h5,7-8,10,12H,2-4,6,9H2,1H3/b12-11+.
What are the key properties of 1-hexylpyridin-2-imine?
1-hexylpyridin-2-imine has a molecular weight of 178.28 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylpyridin-2-imine is sourced from PubChem (CID 12924178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).