3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium

C15H33N3O3P+ — CID 71710907

IUPAC3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium
SMILESCCCCCCCCCCCCOP(=O)(O)CCCN=[N+]=N
InChIInChI=1S/C15H32N3O3P/c1-2-3-4-5-6-7-8-9-10-11-14-21-22(19,20)15-12-13-17-18-16/h16H,2-15H2,1H3/p+1
InChIKeyBEUWZXAEJRVUSA-UHFFFAOYSA-O
MW334.42 g/mol
LogP5.05
Rot. Bonds16

About 3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium

3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium (PubChem CID 71710907) has the molecular formula C15H33N3O3P+ and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium.

Molecular Properties

Compound Name3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium
PubChem CID71710907
Molecular FormulaC15H33N3O3P+
Molecular Weight334.42 g/mol
Exact Mass334.23
IUPAC Name3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium
SMILESCCCCCCCCCCCCOP(=O)(O)CCCN=[N+]=N
InChIInChI=1S/C15H32N3O3P/c1-2-3-4-5-6-7-8-9-10-11-14-21-22(19,20)15-12-13-17-18-16/h16H,2-15H2,1H3/p+1
InChIKeyBEUWZXAEJRVUSA-UHFFFAOYSA-O
XLogP5.05
TPSA96.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

butyl(decoxy)phosphinic acid
CID 139947140
heptoxy(octadecyl)phosphinic acid
CID 139947141
butyl(hexoxy)phosphinic acid
CID 15271220
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
hexyl(pentoxy)phosphinic acid
CID 139947056
iron;[(Z)-octadec-9-enoxy]-[(Z)-octadec-9-enyl]phosphinic acid
CID 87602188
iron;octadecyl dihydrogen phosphate
CID 175059517
[(Z)-octadec-9-enoxy]-propylphosphinic acid
CID 139947162
pentatriacontyl dihydrogen phosphate
CID 164897229
decyl dodecyl hydrogen phosphate
CID 20810618
octatriacontyl dihydrogen phosphate
CID 140979287

Frequently Asked Questions

What is the IUPAC name of 3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium?
The IUPAC name of 3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium (CID 71710907) is 3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium.
What is the SMILES notation for 3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium?
The canonical SMILES for 3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium is CCCCCCCCCCCCOP(=O)(O)CCCN=[N+]=N.
What is the InChIKey of 3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium?
The InChIKey is BEUWZXAEJRVUSA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H32N3O3P/c1-2-3-4-5-6-7-8-9-10-11-14-21-22(19,20)15-12-13-17-18-16/h16H,2-15H2,1H3/p+1.
What are the key properties of 3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium?
3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium has a molecular weight of 334.42 g/mol, XLogP of 5.05, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium is sourced from PubChem (CID 71710907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).