(3-methylpyrrolidin-2-yl)methyl-tris(prop-2-enyl)azanium

C15H27N2+ — CID 70387137

IUPAC(3-methylpyrrolidin-2-yl)methyl-tris(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)CC1NCCC1C
InChIInChI=1S/C15H27N2/c1-5-10-17(11-6-2,12-7-3)13-15-14(4)8-9-16-15/h5-7,14-16H,1-3,8-13H2,4H3/q+1
InChIKeyLJSGBBHKZWSYGA-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.36
Rot. Bonds8

About (3-methylpyrrolidin-2-yl)methyl-tris(prop-2-enyl)azanium

(3-methylpyrrolidin-2-yl)methyl-tris(prop-2-enyl)azanium (PubChem CID 70387137) has the molecular formula C15H27N2+ and a molecular weight of 235.39 g/mol. Its IUPAC name is (3-methylpyrrolidin-2-yl)methyl-tris(prop-2-enyl)azanium.

Molecular Properties

Compound Name(3-methylpyrrolidin-2-yl)methyl-tris(prop-2-enyl)azanium
PubChem CID70387137
Molecular FormulaC15H27N2+
Molecular Weight235.39 g/mol
Exact Mass235.22
IUPAC Name(3-methylpyrrolidin-2-yl)methyl-tris(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)CC1NCCC1C
InChIInChI=1S/C15H27N2/c1-5-10-17(11-6-2,12-7-3)13-15-14(4)8-9-16-15/h5-7,14-16H,1-3,8-13H2,4H3/q+1
InChIKeyLJSGBBHKZWSYGA-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-methylpyrrolidin-2-yl)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 (3-methylpyrrolidin-2-yl)methyl-tris(prop-2-enyl)azanium?
The IUPAC name of (3-methylpyrrolidin-2-yl)methyl-tris(prop-2-enyl)azanium (CID 70387137) is (3-methylpyrrolidin-2-yl)methyl-tris(prop-2-enyl)azanium.
What is the SMILES notation for (3-methylpyrrolidin-2-yl)methyl-tris(prop-2-enyl)azanium?
The canonical SMILES for (3-methylpyrrolidin-2-yl)methyl-tris(prop-2-enyl)azanium is C=CC[N+](CC=C)(CC=C)CC1NCCC1C.
What is the InChIKey of (3-methylpyrrolidin-2-yl)methyl-tris(prop-2-enyl)azanium?
The InChIKey is LJSGBBHKZWSYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N2/c1-5-10-17(11-6-2,12-7-3)13-15-14(4)8-9-16-15/h5-7,14-16H,1-3,8-13H2,4H3/q+1.
What are the key properties of (3-methylpyrrolidin-2-yl)methyl-tris(prop-2-enyl)azanium?
(3-methylpyrrolidin-2-yl)methyl-tris(prop-2-enyl)azanium has a molecular weight of 235.39 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-2-yl)methyl-tris(prop-2-enyl)azanium is sourced from PubChem (CID 70387137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).