sodium;hexane-1,1-diamine;hydride;phosphoric acid

C6H20N2NaO4P — CID 175253619

IUPACsodium;hexane-1,1-diamine;hydride;phosphoric acid
SMILESCCCCCC(N)N.O=P(O)(O)O.[H-].[Na+]
InChIInChI=1S/C6H16N2.Na.H3O4P.H/c1-2-3-4-5-6(7)8;;1-5(2,3)4;/h6H,2-5,7-8H2,1H3;;(H3,1,2,3,4);/q;+1;;-1
InChIKeyVUDJUXBRCPZNCR-UHFFFAOYSA-N
MW238.20 g/mol
LogP-3.00
Rot. Bonds4

About sodium;hexane-1,1-diamine;hydride;phosphoric acid

sodium;hexane-1,1-diamine;hydride;phosphoric acid (PubChem CID 175253619) has the molecular formula C6H20N2NaO4P and a molecular weight of 238.20 g/mol. Its IUPAC name is sodium;hexane-1,1-diamine;hydride;phosphoric acid.

Molecular Properties

Compound Namesodium;hexane-1,1-diamine;hydride;phosphoric acid
PubChem CID175253619
Molecular FormulaC6H20N2NaO4P
Molecular Weight238.20 g/mol
Exact Mass238.11
IUPAC Namesodium;hexane-1,1-diamine;hydride;phosphoric acid
SMILESCCCCCC(N)N.O=P(O)(O)O.[H-].[Na+]
InChIInChI=1S/C6H16N2.Na.H3O4P.H/c1-2-3-4-5-6(7)8;;1-5(2,3)4;/h6H,2-5,7-8H2,1H3;;(H3,1,2,3,4);/q;+1;;-1
InChIKeyVUDJUXBRCPZNCR-UHFFFAOYSA-N
XLogP-3.00
TPSA129.80 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-3.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze sodium;hexane-1,1-diamine;hydride;phosphoric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexane-1,1-diamine;hydrobromide
CID 141245501
hexacosane-1,1-diamine
CID 137375175
hexatriacontane-1,1-diamine
CID 21495844
didecyl hydrogen phosphate;dodecane-1,1-diamine
CID 173350501
tetradecane-1,1-diamine;dihydrochloride
CID 21115936
hexan-2-amine;phosphoric acid;propane
CID 175129773
dodecane;phosphoric acid
CID 88801558
1-aminoheptan-2-ol;phosphoric acid
CID 174932535
(2-amino-3-hydroxyoctadecyl)phosphonic acid
CID 53463630
3-aminoheptadecylphosphonic acid
CID 10125861
sodium;dodecan-1-ol;hydride;phosphoric acid
CID 173189206
heptane-1,1-diamine;octane-1,8-diamine
CID 87723894

Frequently Asked Questions

What is the IUPAC name of sodium;hexane-1,1-diamine;hydride;phosphoric acid?
The IUPAC name of sodium;hexane-1,1-diamine;hydride;phosphoric acid (CID 175253619) is sodium;hexane-1,1-diamine;hydride;phosphoric acid.
What is the SMILES notation for sodium;hexane-1,1-diamine;hydride;phosphoric acid?
The canonical SMILES for sodium;hexane-1,1-diamine;hydride;phosphoric acid is CCCCCC(N)N.O=P(O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hexane-1,1-diamine;hydride;phosphoric acid?
The InChIKey is VUDJUXBRCPZNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.Na.H3O4P.H/c1-2-3-4-5-6(7)8;;1-5(2,3)4;/h6H,2-5,7-8H2,1H3;;(H3,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;hexane-1,1-diamine;hydride;phosphoric acid?
sodium;hexane-1,1-diamine;hydride;phosphoric acid has a molecular weight of 238.20 g/mol, XLogP of -3.00, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hexane-1,1-diamine;hydride;phosphoric acid is sourced from PubChem (CID 175253619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).