boranuide;cyclohexyl-dimethyl-phenylazanium

C14H26BN — CID 173258022

IUPACboranuide;cyclohexyl-dimethyl-phenylazanium
SMILESC[N+](C)(c1ccccc1)C1CCCCC1.[BH4-]
InChIInChI=1S/C14H22N.BH4/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3;1H4/q+1;-1
InChIKeyGGOXHQHQFIVTGX-UHFFFAOYSA-N
MW219.18 g/mol
LogP2.13
Rot. Bonds2

About boranuide;cyclohexyl-dimethyl-phenylazanium

boranuide;cyclohexyl-dimethyl-phenylazanium (PubChem CID 173258022) has the molecular formula C14H26BN and a molecular weight of 219.18 g/mol. Its IUPAC name is boranuide;cyclohexyl-dimethyl-phenylazanium.

Molecular Properties

Compound Nameboranuide;cyclohexyl-dimethyl-phenylazanium
PubChem CID173258022
Molecular FormulaC14H26BN
Molecular Weight219.18 g/mol
Exact Mass219.22
IUPAC Nameboranuide;cyclohexyl-dimethyl-phenylazanium
SMILESC[N+](C)(c1ccccc1)C1CCCCC1.[BH4-]
InChIInChI=1S/C14H22N.BH4/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3;1H4/q+1;-1
InChIKeyGGOXHQHQFIVTGX-UHFFFAOYSA-N
XLogP2.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of boranuide;cyclohexyl-dimethyl-phenylazanium?
The IUPAC name of boranuide;cyclohexyl-dimethyl-phenylazanium (CID 173258022) is boranuide;cyclohexyl-dimethyl-phenylazanium.
What is the SMILES notation for boranuide;cyclohexyl-dimethyl-phenylazanium?
The canonical SMILES for boranuide;cyclohexyl-dimethyl-phenylazanium is C[N+](C)(c1ccccc1)C1CCCCC1.[BH4-].
What is the InChIKey of boranuide;cyclohexyl-dimethyl-phenylazanium?
The InChIKey is GGOXHQHQFIVTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N.BH4/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3;1H4/q+1;-1.
What are the key properties of boranuide;cyclohexyl-dimethyl-phenylazanium?
boranuide;cyclohexyl-dimethyl-phenylazanium has a molecular weight of 219.18 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for boranuide;cyclohexyl-dimethyl-phenylazanium is sourced from PubChem (CID 173258022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).