2-(butylamino)propan-2-yl-hydroxy-methylidenephosphanium

C8H19NOP+ — CID 118516741

IUPAC2-(butylamino)propan-2-yl-hydroxy-methylidenephosphanium
SMILESC=[P+](O)C(C)(C)NCCCC
InChIInChI=1S/C8H19NOP/c1-5-6-7-9-8(2,3)11(4)10/h9-10H,4-7H2,1-3H3/q+1
InChIKeyYBJPDFNEGPRGPJ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.93
Rot. Bonds5

About 2-(butylamino)propan-2-yl-hydroxy-methylidenephosphanium

2-(butylamino)propan-2-yl-hydroxy-methylidenephosphanium (PubChem CID 118516741) has the molecular formula C8H19NOP+ and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(butylamino)propan-2-yl-hydroxy-methylidenephosphanium.

Molecular Properties

Compound Name2-(butylamino)propan-2-yl-hydroxy-methylidenephosphanium
PubChem CID118516741
Molecular FormulaC8H19NOP+
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name2-(butylamino)propan-2-yl-hydroxy-methylidenephosphanium
SMILESC=[P+](O)C(C)(C)NCCCC
InChIInChI=1S/C8H19NOP/c1-5-6-7-9-8(2,3)11(4)10/h9-10H,4-7H2,1-3H3/q+1
InChIKeyYBJPDFNEGPRGPJ-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)propan-2-yl-hydroxy-methylidenephosphanium?
The IUPAC name of 2-(butylamino)propan-2-yl-hydroxy-methylidenephosphanium (CID 118516741) is 2-(butylamino)propan-2-yl-hydroxy-methylidenephosphanium.
What is the SMILES notation for 2-(butylamino)propan-2-yl-hydroxy-methylidenephosphanium?
The canonical SMILES for 2-(butylamino)propan-2-yl-hydroxy-methylidenephosphanium is C=[P+](O)C(C)(C)NCCCC.
What is the InChIKey of 2-(butylamino)propan-2-yl-hydroxy-methylidenephosphanium?
The InChIKey is YBJPDFNEGPRGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOP/c1-5-6-7-9-8(2,3)11(4)10/h9-10H,4-7H2,1-3H3/q+1.
What are the key properties of 2-(butylamino)propan-2-yl-hydroxy-methylidenephosphanium?
2-(butylamino)propan-2-yl-hydroxy-methylidenephosphanium has a molecular weight of 176.22 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)propan-2-yl-hydroxy-methylidenephosphanium is sourced from PubChem (CID 118516741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).