2-(3-diphenylphosphanylpropyl)guanidine

C16H20N3P — CID 15196031

IUPAC2-(3-diphenylphosphanylpropyl)guanidine
SMILESNC(N)=NCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N3P/c17-16(18)19-12-7-13-20(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H4,17,18,19)
InChIKeyAXJKHFJOUMPVBQ-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.78
Rot. Bonds6

About 2-(3-diphenylphosphanylpropyl)guanidine

2-(3-diphenylphosphanylpropyl)guanidine (PubChem CID 15196031) has the molecular formula C16H20N3P and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-(3-diphenylphosphanylpropyl)guanidine.

Molecular Properties

Compound Name2-(3-diphenylphosphanylpropyl)guanidine
PubChem CID15196031
Molecular FormulaC16H20N3P
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name2-(3-diphenylphosphanylpropyl)guanidine
SMILESNC(N)=NCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N3P/c17-16(18)19-12-7-13-20(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H4,17,18,19)
InChIKeyAXJKHFJOUMPVBQ-UHFFFAOYSA-N
XLogP1.78
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-diphenylphosphanylpropyl)guanidine?
The IUPAC name of 2-(3-diphenylphosphanylpropyl)guanidine (CID 15196031) is 2-(3-diphenylphosphanylpropyl)guanidine.
What is the SMILES notation for 2-(3-diphenylphosphanylpropyl)guanidine?
The canonical SMILES for 2-(3-diphenylphosphanylpropyl)guanidine is NC(N)=NCCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(3-diphenylphosphanylpropyl)guanidine?
The InChIKey is AXJKHFJOUMPVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N3P/c17-16(18)19-12-7-13-20(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H4,17,18,19).
What are the key properties of 2-(3-diphenylphosphanylpropyl)guanidine?
2-(3-diphenylphosphanylpropyl)guanidine has a molecular weight of 285.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-diphenylphosphanylpropyl)guanidine is sourced from PubChem (CID 15196031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).