1-nonyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine

C15H27N5 — CID 82365279

IUPAC1-nonyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCCCCCCCCCN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C15H27N5/c1-2-3-4-5-6-7-8-11-20-12-9-10-14(13-20)15-16-18-19-17-15/h10H,2-9,11-13H2,1H3,(H,16,17,18,19)
InChIKeyPSPUTXREBSRFPG-UHFFFAOYSA-N
MW277.42 g/mol
LogP3.04
Rot. Bonds9

About 1-nonyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine

1-nonyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 82365279) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-nonyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-nonyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID82365279
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1-nonyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCCCCCCCCCN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C15H27N5/c1-2-3-4-5-6-7-8-11-20-12-9-10-14(13-20)15-16-18-19-17-15/h10H,2-9,11-13H2,1H3,(H,16,17,18,19)
InChIKeyPSPUTXREBSRFPG-UHFFFAOYSA-N
XLogP3.04
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-nonyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-nonyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (CID 82365279) is 1-nonyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-nonyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-nonyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is CCCCCCCCCN1CCC=C(c2nn[nH]n2)C1.
What is the InChIKey of 1-nonyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is PSPUTXREBSRFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-2-3-4-5-6-7-8-11-20-12-9-10-14(13-20)15-16-18-19-17-15/h10H,2-9,11-13H2,1H3,(H,16,17,18,19).
What are the key properties of 1-nonyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
1-nonyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 277.42 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 82365279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).