N-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine

C14H25N3 — CID 106549868

IUPACN-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine
SMILESCCCCCC(C)(C)CNc1cc(C)cnn1
InChIInChI=1S/C14H25N3/c1-5-6-7-8-14(3,4)11-15-13-9-12(2)10-16-17-13/h9-10H,5-8,11H2,1-4H3,(H,15,17)
InChIKeyUFMXJWGLJAWQGE-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.80
Rot. Bonds7

About N-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine

N-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine (PubChem CID 106549868) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine
PubChem CID106549868
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine
SMILESCCCCCC(C)(C)CNc1cc(C)cnn1
InChIInChI=1S/C14H25N3/c1-5-6-7-8-14(3,4)11-15-13-9-12(2)10-16-17-13/h9-10H,5-8,11H2,1-4H3,(H,15,17)
InChIKeyUFMXJWGLJAWQGE-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine?
The IUPAC name of N-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine (CID 106549868) is N-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine.
What is the SMILES notation for N-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine?
The canonical SMILES for N-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine is CCCCCC(C)(C)CNc1cc(C)cnn1.
What is the InChIKey of N-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine?
The InChIKey is UFMXJWGLJAWQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-6-7-8-14(3,4)11-15-13-9-12(2)10-16-17-13/h9-10H,5-8,11H2,1-4H3,(H,15,17).
What are the key properties of N-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine?
N-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine is sourced from PubChem (CID 106549868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).