azane;ethyl-dihydroxy-pentadecylphosphanium;hydrobromide

C17H42BrNO2P+ — CID 174936658

IUPACazane;ethyl-dihydroxy-pentadecylphosphanium;hydrobromide
SMILESBr.CCCCCCCCCCCCCCC[P+](O)(O)CC.N
InChIInChI=1S/C17H38O2P.BrH.H3N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20(18,19)4-2;;/h18-19H,3-17H2,1-2H3;1H;1H3/q+1;;
InChIKeyMTTJJCYUROUQJX-UHFFFAOYSA-N
MW403.41 g/mol
LogP6.67
Rot. Bonds15

About azane;ethyl-dihydroxy-pentadecylphosphanium;hydrobromide

azane;ethyl-dihydroxy-pentadecylphosphanium;hydrobromide (PubChem CID 174936658) has the molecular formula C17H42BrNO2P+ and a molecular weight of 403.41 g/mol. Its IUPAC name is azane;ethyl-dihydroxy-pentadecylphosphanium;hydrobromide.

Molecular Properties

Compound Nameazane;ethyl-dihydroxy-pentadecylphosphanium;hydrobromide
PubChem CID174936658
Molecular FormulaC17H42BrNO2P+
Molecular Weight403.41 g/mol
Exact Mass402.21
IUPAC Nameazane;ethyl-dihydroxy-pentadecylphosphanium;hydrobromide
SMILESBr.CCCCCCCCCCCCCCC[P+](O)(O)CC.N
InChIInChI=1S/C17H38O2P.BrH.H3N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20(18,19)4-2;;/h18-19H,3-17H2,1-2H3;1H;1H3/q+1;;
InChIKeyMTTJJCYUROUQJX-UHFFFAOYSA-N
XLogP6.67
TPSA75.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.41
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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tris(1-hydroxypropyl)-tetradecylphosphanium
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icosan-3-ol
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Frequently Asked Questions

What is the IUPAC name of azane;ethyl-dihydroxy-pentadecylphosphanium;hydrobromide?
The IUPAC name of azane;ethyl-dihydroxy-pentadecylphosphanium;hydrobromide (CID 174936658) is azane;ethyl-dihydroxy-pentadecylphosphanium;hydrobromide.
What is the SMILES notation for azane;ethyl-dihydroxy-pentadecylphosphanium;hydrobromide?
The canonical SMILES for azane;ethyl-dihydroxy-pentadecylphosphanium;hydrobromide is Br.CCCCCCCCCCCCCCC[P+](O)(O)CC.N.
What is the InChIKey of azane;ethyl-dihydroxy-pentadecylphosphanium;hydrobromide?
The InChIKey is MTTJJCYUROUQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O2P.BrH.H3N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20(18,19)4-2;;/h18-19H,3-17H2,1-2H3;1H;1H3/q+1;;.
What are the key properties of azane;ethyl-dihydroxy-pentadecylphosphanium;hydrobromide?
azane;ethyl-dihydroxy-pentadecylphosphanium;hydrobromide has a molecular weight of 403.41 g/mol, XLogP of 6.67, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl-dihydroxy-pentadecylphosphanium;hydrobromide is sourced from PubChem (CID 174936658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).