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

C7H17NO2P+ — CID 6328684

IUPAC2-(butylamino)propan-2-yl-hydroxy-oxophosphanium
SMILESCCCCNC(C)(C)[P+](=O)O
InChIInChI=1S/C7H16NO2P/c1-4-5-6-8-7(2,3)11(9)10/h8H,4-6H2,1-3H3/p+1
InChIKeyYHLWPOLSPCBOPC-UHFFFAOYSA-O
MW178.19 g/mol
LogP1.85
Rot. Bonds5

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

2-(butylamino)propan-2-yl-hydroxy-oxophosphanium (PubChem CID 6328684) has the molecular formula C7H17NO2P+ and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(butylamino)propan-2-yl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2-(butylamino)propan-2-yl-hydroxy-oxophosphanium
PubChem CID6328684
Molecular FormulaC7H17NO2P+
Molecular Weight178.19 g/mol
Exact Mass178.10
IUPAC Name2-(butylamino)propan-2-yl-hydroxy-oxophosphanium
SMILESCCCCNC(C)(C)[P+](=O)O
InChIInChI=1S/C7H16NO2P/c1-4-5-6-8-7(2,3)11(9)10/h8H,4-6H2,1-3H3/p+1
InChIKeyYHLWPOLSPCBOPC-UHFFFAOYSA-O
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.85
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-oxophosphanium?
The IUPAC name of 2-(butylamino)propan-2-yl-hydroxy-oxophosphanium (CID 6328684) is 2-(butylamino)propan-2-yl-hydroxy-oxophosphanium.
What is the SMILES notation for 2-(butylamino)propan-2-yl-hydroxy-oxophosphanium?
The canonical SMILES for 2-(butylamino)propan-2-yl-hydroxy-oxophosphanium is CCCCNC(C)(C)[P+](=O)O.
What is the InChIKey of 2-(butylamino)propan-2-yl-hydroxy-oxophosphanium?
The InChIKey is YHLWPOLSPCBOPC-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16NO2P/c1-4-5-6-8-7(2,3)11(9)10/h8H,4-6H2,1-3H3/p+1.
What are the key properties of 2-(butylamino)propan-2-yl-hydroxy-oxophosphanium?
2-(butylamino)propan-2-yl-hydroxy-oxophosphanium has a molecular weight of 178.19 g/mol, XLogP of 1.85, 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-oxophosphanium is sourced from PubChem (CID 6328684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).