N-decyl-6-ethoxypyridazin-3-amine

C16H29N3O — CID 582061

IUPACN-decyl-6-ethoxypyridazin-3-amine
SMILESCCCCCCCCCCNc1ccc(OCC)nn1
InChIInChI=1S/C16H29N3O/c1-3-5-6-7-8-9-10-11-14-17-15-12-13-16(19-18-15)20-4-2/h12-13H,3-11,14H2,1-2H3,(H,17,18)
InChIKeyGXUTZNBGGXYIJG-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.43
Rot. Bonds12

About N-decyl-6-ethoxypyridazin-3-amine

N-decyl-6-ethoxypyridazin-3-amine (PubChem CID 582061) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-decyl-6-ethoxypyridazin-3-amine.

Molecular Properties

Compound NameN-decyl-6-ethoxypyridazin-3-amine
PubChem CID582061
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-decyl-6-ethoxypyridazin-3-amine
SMILESCCCCCCCCCCNc1ccc(OCC)nn1
InChIInChI=1S/C16H29N3O/c1-3-5-6-7-8-9-10-11-14-17-15-12-13-16(19-18-15)20-4-2/h12-13H,3-11,14H2,1-2H3,(H,17,18)
InChIKeyGXUTZNBGGXYIJG-UHFFFAOYSA-N
XLogP4.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.43
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 N-decyl-6-ethoxypyridazin-3-amine?
The IUPAC name of N-decyl-6-ethoxypyridazin-3-amine (CID 582061) is N-decyl-6-ethoxypyridazin-3-amine.
What is the SMILES notation for N-decyl-6-ethoxypyridazin-3-amine?
The canonical SMILES for N-decyl-6-ethoxypyridazin-3-amine is CCCCCCCCCCNc1ccc(OCC)nn1.
What is the InChIKey of N-decyl-6-ethoxypyridazin-3-amine?
The InChIKey is GXUTZNBGGXYIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-5-6-7-8-9-10-11-14-17-15-12-13-16(19-18-15)20-4-2/h12-13H,3-11,14H2,1-2H3,(H,17,18).
What are the key properties of N-decyl-6-ethoxypyridazin-3-amine?
N-decyl-6-ethoxypyridazin-3-amine has a molecular weight of 279.43 g/mol, XLogP of 4.43, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-6-ethoxypyridazin-3-amine is sourced from PubChem (CID 582061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).