sodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride

C12H34ClMnN2NaO3 — CID 173350760

IUPACsodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride
SMILESCCCCNCCCC.Cl.O.OCCNCCO.[H-].[Mn].[Na+]
InChIInChI=1S/C8H19N.C4H11NO2.ClH.Mn.Na.H2O.H/c1-3-5-7-9-8-6-4-2;6-3-1-5-2-4-7;;;;;/h9H,3-8H2,1-2H3;5-7H,1-4H2;1H;;;1H2;/q;;;;+1;;-1
InChIKeyKGRJWWMBQOPIDF-UHFFFAOYSA-N
MW367.80 g/mol
LogP-2.55
Rot. Bonds10

About sodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride

sodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride (PubChem CID 173350760) has the molecular formula C12H34ClMnN2NaO3 and a molecular weight of 367.80 g/mol. Its IUPAC name is sodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride.

Molecular Properties

Compound Namesodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride
PubChem CID173350760
Molecular FormulaC12H34ClMnN2NaO3
Molecular Weight367.80 g/mol
Exact Mass367.15
IUPAC Namesodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride
SMILESCCCCNCCCC.Cl.O.OCCNCCO.[H-].[Mn].[Na+]
InChIInChI=1S/C8H19N.C4H11NO2.ClH.Mn.Na.H2O.H/c1-3-5-7-9-8-6-4-2;6-3-1-5-2-4-7;;;;;/h9H,3-8H2,1-2H3;5-7H,1-4H2;1H;;;1H2;/q;;;;+1;;-1
InChIKeyKGRJWWMBQOPIDF-UHFFFAOYSA-N
XLogP-2.55
TPSA96.02 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 5-2.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739
N-butylbutan-1-amine;propan-1-ol
CID 174657089
acetic acid;bis(2-(butylamino)ethanol)
CID 172848833
N-butylbutan-1-amine;hydrochloride
CID 3083954
2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol
CID 166951317
potassium;N-butylbutan-1-amine;hydride
CID 174461538
dodecan-1-ol;2-(2-hydroxyethylamino)ethanol
CID 174424821
4-(octylamino)butan-1-ol;hydrochloride
CID 71413305
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
ethanesulfonic acid;2-(octadecylamino)ethanol
CID 20512907
2-(propylamino)ethanol;hydrobromide
CID 175488073
8-(undecylamino)octan-1-ol
CID 139305047

Frequently Asked Questions

What is the IUPAC name of sodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride?
The IUPAC name of sodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride (CID 173350760) is sodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride.
What is the SMILES notation for sodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride?
The canonical SMILES for sodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride is CCCCNCCCC.Cl.O.OCCNCCO.[H-].[Mn].[Na+].
What is the InChIKey of sodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride?
The InChIKey is KGRJWWMBQOPIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C4H11NO2.ClH.Mn.Na.H2O.H/c1-3-5-7-9-8-6-4-2;6-3-1-5-2-4-7;;;;;/h9H,3-8H2,1-2H3;5-7H,1-4H2;1H;;;1H2;/q;;;;+1;;-1.
What are the key properties of sodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride?
sodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride has a molecular weight of 367.80 g/mol, XLogP of -2.55, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride is sourced from PubChem (CID 173350760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).