1,4-diaminobutoxy-hexoxy-oxophosphanium

C10H24N2O3P+ — CID 57021253

IUPAC1,4-diaminobutoxy-hexoxy-oxophosphanium
SMILESCCCCCCO[P+](=O)OC(N)CCCN
InChIInChI=1S/C10H24N2O3P/c1-2-3-4-5-9-14-16(13)15-10(12)7-6-8-11/h10H,2-9,11-12H2,1H3/q+1
InChIKeyOTARZLMYCHOFNG-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.28
Rot. Bonds11

About 1,4-diaminobutoxy-hexoxy-oxophosphanium

1,4-diaminobutoxy-hexoxy-oxophosphanium (PubChem CID 57021253) has the molecular formula C10H24N2O3P+ and a molecular weight of 251.29 g/mol. Its IUPAC name is 1,4-diaminobutoxy-hexoxy-oxophosphanium.

Molecular Properties

Compound Name1,4-diaminobutoxy-hexoxy-oxophosphanium
PubChem CID57021253
Molecular FormulaC10H24N2O3P+
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1,4-diaminobutoxy-hexoxy-oxophosphanium
SMILESCCCCCCO[P+](=O)OC(N)CCCN
InChIInChI=1S/C10H24N2O3P/c1-2-3-4-5-9-14-16(13)15-10(12)7-6-8-11/h10H,2-9,11-12H2,1H3/q+1
InChIKeyOTARZLMYCHOFNG-UHFFFAOYSA-N
XLogP2.28
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

heptoxy-oxo-propan-2-yloxyphosphanium
CID 175466874
dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799
dodecoxy-octoxy-oxophosphanium
CID 154187352
1-pentoxybutane-1,4-diamine
CID 141071878
ethoxy-hexoxy-oxophosphanium
CID 6329155
dioctoxy(oxo)phosphanium;zinc
CID 175522796
butoxy-dodecoxy-oxophosphanium
CID 175103299
ethoxy-oxo-pentoxyphosphanium
CID 86182061
3-aminopropyl-dodecoxy-oxophosphanium
CID 91097507
oxo(dipentoxy)phosphanium;zinc
CID 157360735

Frequently Asked Questions

What is the IUPAC name of 1,4-diaminobutoxy-hexoxy-oxophosphanium?
The IUPAC name of 1,4-diaminobutoxy-hexoxy-oxophosphanium (CID 57021253) is 1,4-diaminobutoxy-hexoxy-oxophosphanium.
What is the SMILES notation for 1,4-diaminobutoxy-hexoxy-oxophosphanium?
The canonical SMILES for 1,4-diaminobutoxy-hexoxy-oxophosphanium is CCCCCCO[P+](=O)OC(N)CCCN.
What is the InChIKey of 1,4-diaminobutoxy-hexoxy-oxophosphanium?
The InChIKey is OTARZLMYCHOFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3P/c1-2-3-4-5-9-14-16(13)15-10(12)7-6-8-11/h10H,2-9,11-12H2,1H3/q+1.
What are the key properties of 1,4-diaminobutoxy-hexoxy-oxophosphanium?
1,4-diaminobutoxy-hexoxy-oxophosphanium has a molecular weight of 251.29 g/mol, XLogP of 2.28, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diaminobutoxy-hexoxy-oxophosphanium is sourced from PubChem (CID 57021253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).