sodium;3,4-diethylhexane-3,4-diamine;hydride;iron

C10H25FeN2Na — CID 175128450

IUPACsodium;3,4-diethylhexane-3,4-diamine;hydride;iron
SMILESCCC(N)(CC)C(N)(CC)CC.[Fe].[H-].[Na+]
InChIInChI=1S/C10H24N2.Fe.Na.H/c1-5-9(11,6-2)10(12,7-3)8-4;;;/h5-8,11-12H2,1-4H3;;;/q;;+1;-1
InChIKeyMQQDHVLUSWWHRC-UHFFFAOYSA-N
MW252.16 g/mol
LogP-0.86
Rot. Bonds5

About sodium;3,4-diethylhexane-3,4-diamine;hydride;iron

sodium;3,4-diethylhexane-3,4-diamine;hydride;iron (PubChem CID 175128450) has the molecular formula C10H25FeN2Na and a molecular weight of 252.16 g/mol. Its IUPAC name is sodium;3,4-diethylhexane-3,4-diamine;hydride;iron.

Molecular Properties

Compound Namesodium;3,4-diethylhexane-3,4-diamine;hydride;iron
PubChem CID175128450
Molecular FormulaC10H25FeN2Na
Molecular Weight252.16 g/mol
Exact Mass252.13
IUPAC Namesodium;3,4-diethylhexane-3,4-diamine;hydride;iron
SMILESCCC(N)(CC)C(N)(CC)CC.[Fe].[H-].[Na+]
InChIInChI=1S/C10H24N2.Fe.Na.H/c1-5-9(11,6-2)10(12,7-3)8-4;;;/h5-8,11-12H2,1-4H3;;;/q;;+1;-1
InChIKeyMQQDHVLUSWWHRC-UHFFFAOYSA-N
XLogP-0.86
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;3,4-diethylhexane-3,4-diamine;hydride;iron?
The IUPAC name of sodium;3,4-diethylhexane-3,4-diamine;hydride;iron (CID 175128450) is sodium;3,4-diethylhexane-3,4-diamine;hydride;iron.
What is the SMILES notation for sodium;3,4-diethylhexane-3,4-diamine;hydride;iron?
The canonical SMILES for sodium;3,4-diethylhexane-3,4-diamine;hydride;iron is CCC(N)(CC)C(N)(CC)CC.[Fe].[H-].[Na+].
What is the InChIKey of sodium;3,4-diethylhexane-3,4-diamine;hydride;iron?
The InChIKey is MQQDHVLUSWWHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2.Fe.Na.H/c1-5-9(11,6-2)10(12,7-3)8-4;;;/h5-8,11-12H2,1-4H3;;;/q;;+1;-1.
What are the key properties of sodium;3,4-diethylhexane-3,4-diamine;hydride;iron?
sodium;3,4-diethylhexane-3,4-diamine;hydride;iron has a molecular weight of 252.16 g/mol, XLogP of -0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3,4-diethylhexane-3,4-diamine;hydride;iron is sourced from PubChem (CID 175128450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).