methyl-tris(prop-2-enyl)azanium

C10H18N+ — CID 14172655

IUPACmethyl-tris(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)CC=C
InChIInChI=1S/C10H18N/c1-5-8-11(4,9-6-2)10-7-3/h5-7H,1-3,8-10H2,4H3/q+1
InChIKeyMIBQHCGMBCXIAL-UHFFFAOYSA-N
MW152.26 g/mol
LogP1.99
Rot. Bonds6

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

methyl-tris(prop-2-enyl)azanium (PubChem CID 14172655) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is methyl-tris(prop-2-enyl)azanium.

Molecular Properties

Compound Namemethyl-tris(prop-2-enyl)azanium
PubChem CID14172655
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Namemethyl-tris(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)CC=C
InChIInChI=1S/C10H18N/c1-5-8-11(4,9-6-2)10-7-3/h5-7H,1-3,8-10H2,4H3/q+1
InChIKeyMIBQHCGMBCXIAL-UHFFFAOYSA-N
XLogP1.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 51.99
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'}

Analyze methyl-tris(prop-2-enyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl-tris(prop-2-enyl)azanium?
The IUPAC name of methyl-tris(prop-2-enyl)azanium (CID 14172655) is methyl-tris(prop-2-enyl)azanium.
What is the SMILES notation for methyl-tris(prop-2-enyl)azanium?
The canonical SMILES for methyl-tris(prop-2-enyl)azanium is C=CC[N+](C)(CC=C)CC=C.
What is the InChIKey of methyl-tris(prop-2-enyl)azanium?
The InChIKey is MIBQHCGMBCXIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N/c1-5-8-11(4,9-6-2)10-7-3/h5-7H,1-3,8-10H2,4H3/q+1.
What are the key properties of methyl-tris(prop-2-enyl)azanium?
methyl-tris(prop-2-enyl)azanium has a molecular weight of 152.26 g/mol, XLogP of 1.99, 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 is sourced from PubChem (CID 14172655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).