methyl-tris(prop-1-enyl)azanium chloride

C10H18ClN — CID 168864666

IUPACmethyl-tris(prop-1-enyl)azanium chloride
SMILESCC=C[N+](C)(C=CC)C=CC.[Cl-]
InChIInChI=1S/C10H18N.ClH/c1-5-8-11(4,9-6-2)10-7-3;/h5-10H,1-4H3;1H/q+1;/p-1
InChIKeyNAHJVPZDZCSTQX-UHFFFAOYSA-M
MW187.71 g/mol
LogP0.04
Rot. Bonds3

About methyl-tris(prop-1-enyl)azanium chloride

methyl-tris(prop-1-enyl)azanium chloride (PubChem CID 168864666) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is methyl-tris(prop-1-enyl)azanium chloride.

Molecular Properties

Compound Namemethyl-tris(prop-1-enyl)azanium chloride
PubChem CID168864666
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Namemethyl-tris(prop-1-enyl)azanium chloride
SMILESCC=C[N+](C)(C=CC)C=CC.[Cl-]
InChIInChI=1S/C10H18N.ClH/c1-5-8-11(4,9-6-2)10-7-3;/h5-10H,1-4H3;1H/q+1;/p-1
InChIKeyNAHJVPZDZCSTQX-UHFFFAOYSA-M
XLogP0.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 50.04
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 methyl-tris(prop-1-enyl)azanium chloride?
The IUPAC name of methyl-tris(prop-1-enyl)azanium chloride (CID 168864666) is methyl-tris(prop-1-enyl)azanium chloride.
What is the SMILES notation for methyl-tris(prop-1-enyl)azanium chloride?
The canonical SMILES for methyl-tris(prop-1-enyl)azanium chloride is CC=C[N+](C)(C=CC)C=CC.[Cl-].
What is the InChIKey of methyl-tris(prop-1-enyl)azanium chloride?
The InChIKey is NAHJVPZDZCSTQX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18N.ClH/c1-5-8-11(4,9-6-2)10-7-3;/h5-10H,1-4H3;1H/q+1;/p-1.
What are the key properties of methyl-tris(prop-1-enyl)azanium chloride?
methyl-tris(prop-1-enyl)azanium chloride has a molecular weight of 187.71 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(prop-1-enyl)azanium chloride is sourced from PubChem (CID 168864666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).