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

C18H30N2 — CID 3058705

IUPAC6-decyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCCCCCCCCCN1CCc2ncccc2C1
InChIInChI=1S/C18H30N2/c1-2-3-4-5-6-7-8-9-14-20-15-12-18-17(16-20)11-10-13-19-18/h10-11,13H,2-9,12,14-16H2,1H3
InChIKeyRCHWYSIBLPXKSN-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.58
Rot. Bonds9

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

6-decyl-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 3058705) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 6-decyl-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-decyl-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID3058705
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name6-decyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCCCCCCCCCN1CCc2ncccc2C1
InChIInChI=1S/C18H30N2/c1-2-3-4-5-6-7-8-9-14-20-15-12-18-17(16-20)11-10-13-19-18/h10-11,13H,2-9,12,14-16H2,1H3
InChIKeyRCHWYSIBLPXKSN-UHFFFAOYSA-N
XLogP4.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.58
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-decyl-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-decyl-7,8-dihydro-5H-1,6-naphthyridine (CID 3058705) is 6-decyl-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-decyl-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-decyl-7,8-dihydro-5H-1,6-naphthyridine is CCCCCCCCCCN1CCc2ncccc2C1.
What is the InChIKey of 6-decyl-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is RCHWYSIBLPXKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-3-4-5-6-7-8-9-14-20-15-12-18-17(16-20)11-10-13-19-18/h10-11,13H,2-9,12,14-16H2,1H3.
What are the key properties of 6-decyl-7,8-dihydro-5H-1,6-naphthyridine?
6-decyl-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 274.45 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decyl-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 3058705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).