sodium hexanoylazanide

C6H12NNaO — CID 88638958

IUPACsodium hexanoylazanide
SMILESCCCCCC([NH-])=O.[Na+]
InChIInChI=1S/C6H13NO.Na/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H2,7,8);/q;+1/p-1
InChIKeyVAUJKEZCPRRITE-UHFFFAOYSA-M
MW137.16 g/mol
LogP-0.85
Rot. Bonds4

About sodium hexanoylazanide

sodium hexanoylazanide (PubChem CID 88638958) has the molecular formula C6H12NNaO and a molecular weight of 137.16 g/mol. Its IUPAC name is sodium hexanoylazanide.

Molecular Properties

Compound Namesodium hexanoylazanide
PubChem CID88638958
Molecular FormulaC6H12NNaO
Molecular Weight137.16 g/mol
Exact Mass137.08
IUPAC Namesodium hexanoylazanide
SMILESCCCCCC([NH-])=O.[Na+]
InChIInChI=1S/C6H13NO.Na/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H2,7,8);/q;+1/p-1
InChIKeyVAUJKEZCPRRITE-UHFFFAOYSA-M
XLogP-0.85
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butanoylazanide;yttrium(3+)
CID 23539854
potassium;carbanide;hexadecanoylazanide;1-methanidyloxy-2-methylpropane
CID 162756535
octacosan-8-one
CID 86052342
pentacosane-7,19-dione
CID 139254510
nonatriacontane-16,17-dione
CID 175447711
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octadecane-9,10-dione
CID 10902085
pentacosan-7-one
CID 54551687
sodium hentriacontanoate
CID 139987799

Frequently Asked Questions

What is the IUPAC name of sodium hexanoylazanide?
The IUPAC name of sodium hexanoylazanide (CID 88638958) is sodium hexanoylazanide.
What is the SMILES notation for sodium hexanoylazanide?
The canonical SMILES for sodium hexanoylazanide is CCCCCC([NH-])=O.[Na+].
What is the InChIKey of sodium hexanoylazanide?
The InChIKey is VAUJKEZCPRRITE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO.Na/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H2,7,8);/q;+1/p-1.
What are the key properties of sodium hexanoylazanide?
sodium hexanoylazanide has a molecular weight of 137.16 g/mol, XLogP of -0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hexanoylazanide is sourced from PubChem (CID 88638958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).