benzyl(trimethyl)azanium chloride

C10H16ClN — CID 5963

IUPACbenzyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIInChI=1S/C10H16N.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
InChIKeyKXHPPCXNWTUNSB-UHFFFAOYSA-M
MW185.70 g/mol
LogP-1.10
Rot. Bonds2

About benzyl(trimethyl)azanium chloride

benzyl(trimethyl)azanium chloride (PubChem CID 5963) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is benzyl(trimethyl)azanium chloride.

Molecular Properties

Compound Namebenzyl(trimethyl)azanium chloride
PubChem CID5963
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Namebenzyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIInChI=1S/C10H16N.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
InChIKeyKXHPPCXNWTUNSB-UHFFFAOYSA-M
XLogP-1.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl(trimethyl)azanium chloride?
The IUPAC name of benzyl(trimethyl)azanium chloride (CID 5963) is benzyl(trimethyl)azanium chloride.
What is the SMILES notation for benzyl(trimethyl)azanium chloride?
The canonical SMILES for benzyl(trimethyl)azanium chloride is C[N+](C)(C)Cc1ccccc1.[Cl-].
What is the InChIKey of benzyl(trimethyl)azanium chloride?
The InChIKey is KXHPPCXNWTUNSB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1.
What are the key properties of benzyl(trimethyl)azanium chloride?
benzyl(trimethyl)azanium chloride has a molecular weight of 185.70 g/mol, XLogP of -1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(trimethyl)azanium chloride is sourced from PubChem (CID 5963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).