ethanolate;hexan-1-amine;niobium(5+)

C16H40NNbO5 — CID 173298093

IUPACethanolate;hexan-1-amine;niobium(5+)
SMILESCCCCCCN.CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Nb+5]
InChIInChI=1S/C6H15N.5C2H5O.Nb/c1-2-3-4-5-6-7;5*1-2-3;/h2-7H2,1H3;5*2H2,1H3;/q;5*-1;+5
InChIKeyGDXFTSVSQGSGQP-UHFFFAOYSA-N
MW419.40 g/mol
LogP-1.64
Rot. Bonds4

About ethanolate;hexan-1-amine;niobium(5+)

ethanolate;hexan-1-amine;niobium(5+) (PubChem CID 173298093) has the molecular formula C16H40NNbO5 and a molecular weight of 419.40 g/mol. Its IUPAC name is ethanolate;hexan-1-amine;niobium(5+).

Molecular Properties

Compound Nameethanolate;hexan-1-amine;niobium(5+)
PubChem CID173298093
Molecular FormulaC16H40NNbO5
Molecular Weight419.40 g/mol
Exact Mass419.20
IUPAC Nameethanolate;hexan-1-amine;niobium(5+)
SMILESCCCCCCN.CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Nb+5]
InChIInChI=1S/C6H15N.5C2H5O.Nb/c1-2-3-4-5-6-7;5*1-2-3;/h2-7H2,1H3;5*2H2,1H3;/q;5*-1;+5
InChIKeyGDXFTSVSQGSGQP-UHFFFAOYSA-N
XLogP-1.64
TPSA141.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 5-1.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
octadecan-1-amine;oxido(propyl)azanium
CID 174613083
octadecan-1-amine;trihydrochloride
CID 175177898
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;titanium
CID 174493472
tetracosan-1-amine;hydrobromide
CID 175600580
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026

Frequently Asked Questions

What is the IUPAC name of ethanolate;hexan-1-amine;niobium(5+)?
The IUPAC name of ethanolate;hexan-1-amine;niobium(5+) (CID 173298093) is ethanolate;hexan-1-amine;niobium(5+).
What is the SMILES notation for ethanolate;hexan-1-amine;niobium(5+)?
The canonical SMILES for ethanolate;hexan-1-amine;niobium(5+) is CCCCCCN.CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Nb+5].
What is the InChIKey of ethanolate;hexan-1-amine;niobium(5+)?
The InChIKey is GDXFTSVSQGSGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.5C2H5O.Nb/c1-2-3-4-5-6-7;5*1-2-3;/h2-7H2,1H3;5*2H2,1H3;/q;5*-1;+5.
What are the key properties of ethanolate;hexan-1-amine;niobium(5+)?
ethanolate;hexan-1-amine;niobium(5+) has a molecular weight of 419.40 g/mol, XLogP of -1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;hexan-1-amine;niobium(5+) is sourced from PubChem (CID 173298093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).