methyl-tris(prop-2-enyl)azanium chloride

C10H18ClN — CID 22019891

IUPACmethyl-tris(prop-2-enyl)azanium chloride
SMILESC=CC[N+](C)(CC=C)CC=C.[Cl-]
InChIInChI=1S/C10H18N.ClH/c1-5-8-11(4,9-6-2)10-7-3;/h5-7H,1-3,8-10H2,4H3;1H/q+1;/p-1
InChIKeyRRPJQNOJVXGCKC-UHFFFAOYSA-M
MW187.71 g/mol
LogP-1.00
Rot. Bonds6

About methyl-tris(prop-2-enyl)azanium chloride

methyl-tris(prop-2-enyl)azanium chloride (PubChem CID 22019891) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is methyl-tris(prop-2-enyl)azanium chloride.

Molecular Properties

Compound Namemethyl-tris(prop-2-enyl)azanium chloride
PubChem CID22019891
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Namemethyl-tris(prop-2-enyl)azanium chloride
SMILESC=CC[N+](C)(CC=C)CC=C.[Cl-]
InChIInChI=1S/C10H18N.ClH/c1-5-8-11(4,9-6-2)10-7-3;/h5-7H,1-3,8-10H2,4H3;1H/q+1;/p-1
InChIKeyRRPJQNOJVXGCKC-UHFFFAOYSA-M
XLogP-1.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-tris(prop-2-enyl)azanium chloride?
The IUPAC name of methyl-tris(prop-2-enyl)azanium chloride (CID 22019891) is methyl-tris(prop-2-enyl)azanium chloride.
What is the SMILES notation for methyl-tris(prop-2-enyl)azanium chloride?
The canonical SMILES for methyl-tris(prop-2-enyl)azanium chloride is C=CC[N+](C)(CC=C)CC=C.[Cl-].
What is the InChIKey of methyl-tris(prop-2-enyl)azanium chloride?
The InChIKey is RRPJQNOJVXGCKC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18N.ClH/c1-5-8-11(4,9-6-2)10-7-3;/h5-7H,1-3,8-10H2,4H3;1H/q+1;/p-1.
What are the key properties of methyl-tris(prop-2-enyl)azanium chloride?
methyl-tris(prop-2-enyl)azanium chloride has a molecular weight of 187.71 g/mol, XLogP of -1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(prop-2-enyl)azanium chloride is sourced from PubChem (CID 22019891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).