butyl(2-phosphopropan-2-yl)azanium

C7H17NO2P+ — CID 34174278

IUPACbutyl(2-phosphopropan-2-yl)azanium
SMILESCCCC[NH2+]C(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
LogP0.19
Rot. Bonds5

About butyl(2-phosphopropan-2-yl)azanium

butyl(2-phosphopropan-2-yl)azanium (PubChem CID 34174278) has the molecular formula C7H17NO2P+ and a molecular weight of 178.19 g/mol. Its IUPAC name is butyl(2-phosphopropan-2-yl)azanium.

Molecular Properties

Compound Namebutyl(2-phosphopropan-2-yl)azanium
PubChem CID34174278
Molecular FormulaC7H17NO2P+
Molecular Weight178.19 g/mol
Exact Mass178.10
IUPAC Namebutyl(2-phosphopropan-2-yl)azanium
SMILESCCCC[NH2+]C(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
XLogP0.19
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.19
H-Bond Donors ≤ 51
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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Related Compounds

CID 72084
CID 72084
CID 15390275
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CID 6328684
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CID 118735645
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CID 5276552
CID 5276552
CID 5276561
CID 5276561
CID 3082402
CID 3082402
CID 20231667
CID 20231667
CID 4491465
CID 4491465
CID 12596023
CID 12596023
CID 13171108
CID 13171108
CID 146018392
CID 146018392

Frequently Asked Questions

What is the IUPAC name of butyl(2-phosphopropan-2-yl)azanium?
The IUPAC name of butyl(2-phosphopropan-2-yl)azanium (CID 34174278) is butyl(2-phosphopropan-2-yl)azanium.
What is the SMILES notation for butyl(2-phosphopropan-2-yl)azanium?
The canonical SMILES for butyl(2-phosphopropan-2-yl)azanium is CCCC[NH2+]C(C)(C)[P+](=O)[O-].
What is the InChIKey of butyl(2-phosphopropan-2-yl)azanium?
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 butyl(2-phosphopropan-2-yl)azanium?
butyl(2-phosphopropan-2-yl)azanium has a molecular weight of 178.19 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(2-phosphopropan-2-yl)azanium is sourced from PubChem (CID 34174278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).