methyl-[[3-(methylamino)-4-[5-(2-methylpropyl)cyclohepta-1,3,6-trien-1-yl]pyrrolidin-1-yl]methyl]-methylidenephosphanium

C19H32N2P+ — CID 91370471

IUPACmethyl-[[3-(methylamino)-4-[5-(2-methylpropyl)cyclohepta-1,3,6-trien-1-yl]pyrrolidin-1-yl]methyl]-methylidenephosphanium
SMILESC=[P+](C)CN1CC(NC)C(C2=CC=CC(CC(C)C)C=C2)C1
InChIInChI=1S/C19H32N2P/c1-15(2)11-16-7-6-8-17(10-9-16)18-12-21(14-22(4)5)13-19(18)20-3/h6-10,15-16,18-20H,4,11-14H2,1-3,5H3/q+1
InChIKeyLYWDSAGLZWCUHF-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.72
Rot. Bonds6

About methyl-[[3-(methylamino)-4-[5-(2-methylpropyl)cyclohepta-1,3,6-trien-1-yl]pyrrolidin-1-yl]methyl]-methylidenephosphanium

methyl-[[3-(methylamino)-4-[5-(2-methylpropyl)cyclohepta-1,3,6-trien-1-yl]pyrrolidin-1-yl]methyl]-methylidenephosphanium (PubChem CID 91370471) has the molecular formula C19H32N2P+ and a molecular weight of 319.45 g/mol. Its IUPAC name is methyl-[[3-(methylamino)-4-[5-(2-methylpropyl)cyclohepta-1,3,6-trien-1-yl]pyrrolidin-1-yl]methyl]-methylidenephosphanium.

Molecular Properties

Compound Namemethyl-[[3-(methylamino)-4-[5-(2-methylpropyl)cyclohepta-1,3,6-trien-1-yl]pyrrolidin-1-yl]methyl]-methylidenephosphanium
PubChem CID91370471
Molecular FormulaC19H32N2P+
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Namemethyl-[[3-(methylamino)-4-[5-(2-methylpropyl)cyclohepta-1,3,6-trien-1-yl]pyrrolidin-1-yl]methyl]-methylidenephosphanium
SMILESC=[P+](C)CN1CC(NC)C(C2=CC=CC(CC(C)C)C=C2)C1
InChIInChI=1S/C19H32N2P/c1-15(2)11-16-7-6-8-17(10-9-16)18-12-21(14-22(4)5)13-19(18)20-3/h6-10,15-16,18-20H,4,11-14H2,1-3,5H3/q+1
InChIKeyLYWDSAGLZWCUHF-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl-[[3-(methylamino)-4-[5-(2-methylpropyl)cyclohepta-1,3,6-trien-1-yl]pyrrolidin-1-yl]methyl]-methylidenephosphanium 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-[[3-(methylamino)-4-[5-(2-methylpropyl)cyclohepta-1,3,6-trien-1-yl]pyrrolidin-1-yl]methyl]-methylidenephosphanium?
The IUPAC name of methyl-[[3-(methylamino)-4-[5-(2-methylpropyl)cyclohepta-1,3,6-trien-1-yl]pyrrolidin-1-yl]methyl]-methylidenephosphanium (CID 91370471) is methyl-[[3-(methylamino)-4-[5-(2-methylpropyl)cyclohepta-1,3,6-trien-1-yl]pyrrolidin-1-yl]methyl]-methylidenephosphanium.
What is the SMILES notation for methyl-[[3-(methylamino)-4-[5-(2-methylpropyl)cyclohepta-1,3,6-trien-1-yl]pyrrolidin-1-yl]methyl]-methylidenephosphanium?
The canonical SMILES for methyl-[[3-(methylamino)-4-[5-(2-methylpropyl)cyclohepta-1,3,6-trien-1-yl]pyrrolidin-1-yl]methyl]-methylidenephosphanium is C=[P+](C)CN1CC(NC)C(C2=CC=CC(CC(C)C)C=C2)C1.
What is the InChIKey of methyl-[[3-(methylamino)-4-[5-(2-methylpropyl)cyclohepta-1,3,6-trien-1-yl]pyrrolidin-1-yl]methyl]-methylidenephosphanium?
The InChIKey is LYWDSAGLZWCUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2P/c1-15(2)11-16-7-6-8-17(10-9-16)18-12-21(14-22(4)5)13-19(18)20-3/h6-10,15-16,18-20H,4,11-14H2,1-3,5H3/q+1.
What are the key properties of methyl-[[3-(methylamino)-4-[5-(2-methylpropyl)cyclohepta-1,3,6-trien-1-yl]pyrrolidin-1-yl]methyl]-methylidenephosphanium?
methyl-[[3-(methylamino)-4-[5-(2-methylpropyl)cyclohepta-1,3,6-trien-1-yl]pyrrolidin-1-yl]methyl]-methylidenephosphanium has a molecular weight of 319.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[3-(methylamino)-4-[5-(2-methylpropyl)cyclohepta-1,3,6-trien-1-yl]pyrrolidin-1-yl]methyl]-methylidenephosphanium is sourced from PubChem (CID 91370471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).