CID 87882196

C10H16BN+ — CID 87882196

IUPAC—
SMILESC[N+](C)(C)Cc1ccccc1.[B]
InChIInChI=1S/C10H16N.B/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;/q+1;
InChIKeyCLEIJUMDJZCVFF-UHFFFAOYSA-N
MW161.06 g/mol
LogP1.51
Rot. Bonds2

About CID 87882196

CID 87882196 (PubChem CID 87882196) has the molecular formula C10H16BN+ and a molecular weight of 161.06 g/mol.

Molecular Properties

Compound NameCID 87882196
PubChem CID87882196
Molecular FormulaC10H16BN+
Molecular Weight161.06 g/mol
Exact Mass161.14
IUPAC Name—
SMILESC[N+](C)(C)Cc1ccccc1.[B]
InChIInChI=1S/C10H16N.B/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;/q+1;
InChIKeyCLEIJUMDJZCVFF-UHFFFAOYSA-N
XLogP1.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.06
LogP ≤ 51.51
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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Related Compounds

azane;benzyl(trimethyl)azanium;hydroxide;hydrate
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CID 88793118
bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane
CID 142675519
tris(benzyl(trimethyl)azanium);chlorobenzene;tribromide
CID 175078088
benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide
CID 172808382
benzyl(trimethyl)azanium;propanedioic acid
CID 87600376
benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride
CID 141447337
benzyl(trimethyl)azanium;propanoate
CID 87903949
sodium;benzyl(trimethyl)azanium;carbonic acid;sulfate
CID 158178095
benzyl(trimethyl)azanium;2-hydroxybenzoic acid
CID 6708827

Frequently Asked Questions

What is the IUPAC name of CID 87882196?
The IUPAC name of CID 87882196 (CID 87882196) is not available.
What is the SMILES notation for CID 87882196?
The canonical SMILES for CID 87882196 is C[N+](C)(C)Cc1ccccc1.[B].
What is the InChIKey of CID 87882196?
The InChIKey is CLEIJUMDJZCVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N.B/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;/q+1;.
What are the key properties of CID 87882196?
CID 87882196 has a molecular weight of 161.06 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87882196 is sourced from PubChem (CID 87882196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).