N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine

C11H20N4 — CID 107845062

IUPACN'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
SMILESCc1cnnc(NCCCCCCN)c1
InChIInChI=1S/C11H20N4/c1-10-8-11(15-14-9-10)13-7-5-3-2-4-6-12/h8-9H,2-7,12H2,1H3,(H,13,15)
InChIKeyOAPNQCZLHQZWQM-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.72
Rot. Bonds7

About N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine

N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine (PubChem CID 107845062) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
PubChem CID107845062
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
SMILESCc1cnnc(NCCCCCCN)c1
InChIInChI=1S/C11H20N4/c1-10-8-11(15-14-9-10)13-7-5-3-2-4-6-12/h8-9H,2-7,12H2,1H3,(H,13,15)
InChIKeyOAPNQCZLHQZWQM-UHFFFAOYSA-N
XLogP1.72
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(5-methylpyridazin-3-yl)pentane-1,5-diamine
CID 107323443
N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549356
3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide
CID 106549682
5-methyl-N-pent-4-ynylpyridazin-3-amine
CID 106222465
5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine
CID 106012460
5-[(5-methylpyridazin-3-yl)amino]pentan-2-ol
CID 106128597
N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine
CID 107323471
5-methyl-N-(3-propoxypropyl)pyridazin-3-amine
CID 106549900
N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide
CID 106549525
N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine
CID 106154444
N-but-3-ynyl-5-methylpyridazin-3-amine
CID 106549778
5-methyl-N-pent-3-ynylpyridazin-3-amine
CID 106550017

Frequently Asked Questions

What is the IUPAC name of N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine?
The IUPAC name of N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine (CID 107845062) is N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine?
The canonical SMILES for N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine is Cc1cnnc(NCCCCCCN)c1.
What is the InChIKey of N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine?
The InChIKey is OAPNQCZLHQZWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-10-8-11(15-14-9-10)13-7-5-3-2-4-6-12/h8-9H,2-7,12H2,1H3,(H,13,15).
What are the key properties of N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine?
N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine is sourced from PubChem (CID 107845062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).