sodium;hexane-1,6-diamine;hydroxide;hydrate

C6H19N2NaO2 — CID 174844737

IUPACsodium;hexane-1,6-diamine;hydroxide;hydrate
SMILESNCCCCCCN.O.[Na+].[OH-]
InChIInChI=1S/C6H16N2.Na.2H2O/c7-5-3-1-2-4-6-8;;;/h1-8H2;;2*1H2/q;+1;;/p-1
InChIKeyUSAXDLKMWHRWEJ-UHFFFAOYSA-M
MW174.22 g/mol
LogP-3.53
Rot. Bonds5

About sodium;hexane-1,6-diamine;hydroxide;hydrate

sodium;hexane-1,6-diamine;hydroxide;hydrate (PubChem CID 174844737) has the molecular formula C6H19N2NaO2 and a molecular weight of 174.22 g/mol. Its IUPAC name is sodium;hexane-1,6-diamine;hydroxide;hydrate.

Molecular Properties

Compound Namesodium;hexane-1,6-diamine;hydroxide;hydrate
PubChem CID174844737
Molecular FormulaC6H19N2NaO2
Molecular Weight174.22 g/mol
Exact Mass174.13
IUPAC Namesodium;hexane-1,6-diamine;hydroxide;hydrate
SMILESNCCCCCCN.O.[Na+].[OH-]
InChIInChI=1S/C6H16N2.Na.2H2O/c7-5-3-1-2-4-6-8;;;/h1-8H2;;2*1H2/q;+1;;/p-1
InChIKeyUSAXDLKMWHRWEJ-UHFFFAOYSA-M
XLogP-3.53
TPSA113.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-3.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
pentane-1,5-diamine;tantalum
CID 159829635
heptane-1,7-diamine;tetrahydrobromide
CID 174950337
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
octane-1,8-diamine;hydroiodide
CID 166637894
pentane-1,5-diamine;dihydrobromide
CID 87582695
hexane-1,6-diamine;platinum
CID 87698683
ethene;pentane-1,5-diamine
CID 155743145
azane;tetrakis(hexane-1,6-diamine);tris(platinum(2+))
CID 11693801
hexane-1,6-diamine;methanamine
CID 174275715

Frequently Asked Questions

What is the IUPAC name of sodium;hexane-1,6-diamine;hydroxide;hydrate?
The IUPAC name of sodium;hexane-1,6-diamine;hydroxide;hydrate (CID 174844737) is sodium;hexane-1,6-diamine;hydroxide;hydrate.
What is the SMILES notation for sodium;hexane-1,6-diamine;hydroxide;hydrate?
The canonical SMILES for sodium;hexane-1,6-diamine;hydroxide;hydrate is NCCCCCCN.O.[Na+].[OH-].
What is the InChIKey of sodium;hexane-1,6-diamine;hydroxide;hydrate?
The InChIKey is USAXDLKMWHRWEJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16N2.Na.2H2O/c7-5-3-1-2-4-6-8;;;/h1-8H2;;2*1H2/q;+1;;/p-1.
What are the key properties of sodium;hexane-1,6-diamine;hydroxide;hydrate?
sodium;hexane-1,6-diamine;hydroxide;hydrate has a molecular weight of 174.22 g/mol, XLogP of -3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hexane-1,6-diamine;hydroxide;hydrate is sourced from PubChem (CID 174844737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).