tris[cycloheptyl(methyl)amino]-[ethyl(methyl)amino]phosphanium

C27H56N4P+ — CID 168791257

IUPACtris[cycloheptyl(methyl)amino]-[ethyl(methyl)amino]phosphanium
SMILESCCN(C)[P+](N(C)C1CCCCCC1)(N(C)C1CCCCCC1)N(C)C1CCCCCC1
InChIInChI=1S/C27H56N4P/c1-6-28(2)32(29(3)25-19-13-7-8-14-20-25,30(4)26-21-15-9-10-16-22-26)31(5)27-23-17-11-12-18-24-27/h25-27H,6-24H2,1-5H3/q+1
InChIKeyFEPLZVOCJQLXCV-UHFFFAOYSA-N
MW467.75 g/mol
LogP7.58
Rot. Bonds8

About tris[cycloheptyl(methyl)amino]-[ethyl(methyl)amino]phosphanium

tris[cycloheptyl(methyl)amino]-[ethyl(methyl)amino]phosphanium (PubChem CID 168791257) has the molecular formula C27H56N4P+ and a molecular weight of 467.75 g/mol. Its IUPAC name is tris[cycloheptyl(methyl)amino]-[ethyl(methyl)amino]phosphanium.

Molecular Properties

Compound Nametris[cycloheptyl(methyl)amino]-[ethyl(methyl)amino]phosphanium
PubChem CID168791257
Molecular FormulaC27H56N4P+
Molecular Weight467.75 g/mol
Exact Mass467.42
IUPAC Nametris[cycloheptyl(methyl)amino]-[ethyl(methyl)amino]phosphanium
SMILESCCN(C)[P+](N(C)C1CCCCCC1)(N(C)C1CCCCCC1)N(C)C1CCCCCC1
InChIInChI=1S/C27H56N4P/c1-6-28(2)32(29(3)25-19-13-7-8-14-20-25,30(4)26-21-15-9-10-16-22-26)31(5)27-23-17-11-12-18-24-27/h25-27H,6-24H2,1-5H3/q+1
InChIKeyFEPLZVOCJQLXCV-UHFFFAOYSA-N
XLogP7.58
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.75
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tris[cycloheptyl(methyl)amino]-[ethyl(methyl)amino]phosphanium 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 tris[cycloheptyl(methyl)amino]-[ethyl(methyl)amino]phosphanium?
The IUPAC name of tris[cycloheptyl(methyl)amino]-[ethyl(methyl)amino]phosphanium (CID 168791257) is tris[cycloheptyl(methyl)amino]-[ethyl(methyl)amino]phosphanium.
What is the SMILES notation for tris[cycloheptyl(methyl)amino]-[ethyl(methyl)amino]phosphanium?
The canonical SMILES for tris[cycloheptyl(methyl)amino]-[ethyl(methyl)amino]phosphanium is CCN(C)[P+](N(C)C1CCCCCC1)(N(C)C1CCCCCC1)N(C)C1CCCCCC1.
What is the InChIKey of tris[cycloheptyl(methyl)amino]-[ethyl(methyl)amino]phosphanium?
The InChIKey is FEPLZVOCJQLXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56N4P/c1-6-28(2)32(29(3)25-19-13-7-8-14-20-25,30(4)26-21-15-9-10-16-22-26)31(5)27-23-17-11-12-18-24-27/h25-27H,6-24H2,1-5H3/q+1.
What are the key properties of tris[cycloheptyl(methyl)amino]-[ethyl(methyl)amino]phosphanium?
tris[cycloheptyl(methyl)amino]-[ethyl(methyl)amino]phosphanium has a molecular weight of 467.75 g/mol, XLogP of 7.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris[cycloheptyl(methyl)amino]-[ethyl(methyl)amino]phosphanium is sourced from PubChem (CID 168791257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).