6-heptyl-7,8-dihydro-5H-1,6-naphthyridine

C15H24N2 — CID 3058699

IUPAC6-heptyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCCCCCCN1CCc2ncccc2C1
InChIInChI=1S/C15H24N2/c1-2-3-4-5-6-11-17-12-9-15-14(13-17)8-7-10-16-15/h7-8,10H,2-6,9,11-13H2,1H3
InChIKeyWAZNMOJEWFGFAH-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.41
Rot. Bonds6

About 6-heptyl-7,8-dihydro-5H-1,6-naphthyridine

6-heptyl-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 3058699) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 6-heptyl-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-heptyl-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID3058699
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name6-heptyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCCCCCCN1CCc2ncccc2C1
InChIInChI=1S/C15H24N2/c1-2-3-4-5-6-11-17-12-9-15-14(13-17)8-7-10-16-15/h7-8,10H,2-6,9,11-13H2,1H3
InChIKeyWAZNMOJEWFGFAH-UHFFFAOYSA-N
XLogP3.41
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
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 6-heptyl-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-heptyl-7,8-dihydro-5H-1,6-naphthyridine (CID 3058699) is 6-heptyl-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-heptyl-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-heptyl-7,8-dihydro-5H-1,6-naphthyridine is CCCCCCCN1CCc2ncccc2C1.
What is the InChIKey of 6-heptyl-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is WAZNMOJEWFGFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-3-4-5-6-11-17-12-9-15-14(13-17)8-7-10-16-15/h7-8,10H,2-6,9,11-13H2,1H3.
What are the key properties of 6-heptyl-7,8-dihydro-5H-1,6-naphthyridine?
6-heptyl-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 232.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptyl-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 3058699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).