sodium;cyanoboranuide;N-methylcyclohexanamine

C8H18BN2Na — CID 175322273

IUPACsodium;cyanoboranuide;N-methylcyclohexanamine
SMILESCNC1CCCCC1.[BH3-]C#N.[Na+]
InChIInChI=1S/C7H15N.CH3BN.Na/c1-8-7-5-3-2-4-6-7;2-1-3;/h7-8H,2-6H2,1H3;2H3;/q;-1;+1
InChIKeyABCIUYMOSLXOCM-UHFFFAOYSA-N
MW176.05 g/mol
LogP-2.62
Rot. Bonds1

About sodium;cyanoboranuide;N-methylcyclohexanamine

sodium;cyanoboranuide;N-methylcyclohexanamine (PubChem CID 175322273) has the molecular formula C8H18BN2Na and a molecular weight of 176.05 g/mol. Its IUPAC name is sodium;cyanoboranuide;N-methylcyclohexanamine.

Molecular Properties

Compound Namesodium;cyanoboranuide;N-methylcyclohexanamine
PubChem CID175322273
Molecular FormulaC8H18BN2Na
Molecular Weight176.05 g/mol
Exact Mass176.15
IUPAC Namesodium;cyanoboranuide;N-methylcyclohexanamine
SMILESCNC1CCCCC1.[BH3-]C#N.[Na+]
InChIInChI=1S/C7H15N.CH3BN.Na/c1-8-7-5-3-2-4-6-7;2-1-3;/h7-8H,2-6H2,1H3;2H3;/q;-1;+1
InChIKeyABCIUYMOSLXOCM-UHFFFAOYSA-N
XLogP-2.62
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.05
LogP ≤ 5-2.62
H-Bond Donors ≤ 51
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;cyanoboranuide;N-methylcyclohexanamine?
The IUPAC name of sodium;cyanoboranuide;N-methylcyclohexanamine (CID 175322273) is sodium;cyanoboranuide;N-methylcyclohexanamine.
What is the SMILES notation for sodium;cyanoboranuide;N-methylcyclohexanamine?
The canonical SMILES for sodium;cyanoboranuide;N-methylcyclohexanamine is CNC1CCCCC1.[BH3-]C#N.[Na+].
What is the InChIKey of sodium;cyanoboranuide;N-methylcyclohexanamine?
The InChIKey is ABCIUYMOSLXOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.CH3BN.Na/c1-8-7-5-3-2-4-6-7;2-1-3;/h7-8H,2-6H2,1H3;2H3;/q;-1;+1.
What are the key properties of sodium;cyanoboranuide;N-methylcyclohexanamine?
sodium;cyanoboranuide;N-methylcyclohexanamine has a molecular weight of 176.05 g/mol, XLogP of -2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;cyanoboranuide;N-methylcyclohexanamine is sourced from PubChem (CID 175322273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).