diazepan-1-yloxy-ethoxy-oxophosphanium

C7H16N2O3P+ — CID 174590901

IUPACdiazepan-1-yloxy-ethoxy-oxophosphanium
SMILESCCO[P+](=O)ON1CCCCCN1
InChIInChI=1S/C7H16N2O3P/c1-2-11-13(10)12-9-7-5-3-4-6-8-9/h8H,2-7H2,1H3/q+1
InChIKeySIEKXKBWSZEMAR-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.60
Rot. Bonds4

About diazepan-1-yloxy-ethoxy-oxophosphanium

diazepan-1-yloxy-ethoxy-oxophosphanium (PubChem CID 174590901) has the molecular formula C7H16N2O3P+ and a molecular weight of 207.19 g/mol. Its IUPAC name is diazepan-1-yloxy-ethoxy-oxophosphanium.

Molecular Properties

Compound Namediazepan-1-yloxy-ethoxy-oxophosphanium
PubChem CID174590901
Molecular FormulaC7H16N2O3P+
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Namediazepan-1-yloxy-ethoxy-oxophosphanium
SMILESCCO[P+](=O)ON1CCCCCN1
InChIInChI=1S/C7H16N2O3P/c1-2-11-13(10)12-9-7-5-3-4-6-8-9/h8H,2-7H2,1H3/q+1
InChIKeySIEKXKBWSZEMAR-UHFFFAOYSA-N
XLogP1.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

magnesium;diethoxy(oxo)phosphanium;hydride
CID 175376025
1-ethylsulfonyldiazinane
CID 130986227
1-pyrrolidin-1-yldiazepane
CID 66967959
buta-1,3-diene;diethoxy(oxo)phosphanium
CID 88766369
magnesium;ethoxy-methoxy-oxophosphanium;hydride
CID 175376011
bis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium
CID 16684782
3-ethoxy-1-piperidin-1-ylpropan-1-one
CID 63184381
ethoxy-hex-2-en-5-ynoxy-oxophosphanium
CID 146217473
4-[2-[ethoxy-di(piperidin-1-yl)methoxy]pyrrolidin-2-yl]morpholine
CID 123708016
diazepan-1-ylmethanol
CID 23083663
diethoxy(oxo)phosphanium;1,4-xylene
CID 68978726
ethoxy-(1-hydroxycyclohexyl)-oxophosphanium
CID 11275535

Frequently Asked Questions

What is the IUPAC name of diazepan-1-yloxy-ethoxy-oxophosphanium?
The IUPAC name of diazepan-1-yloxy-ethoxy-oxophosphanium (CID 174590901) is diazepan-1-yloxy-ethoxy-oxophosphanium.
What is the SMILES notation for diazepan-1-yloxy-ethoxy-oxophosphanium?
The canonical SMILES for diazepan-1-yloxy-ethoxy-oxophosphanium is CCO[P+](=O)ON1CCCCCN1.
What is the InChIKey of diazepan-1-yloxy-ethoxy-oxophosphanium?
The InChIKey is SIEKXKBWSZEMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3P/c1-2-11-13(10)12-9-7-5-3-4-6-8-9/h8H,2-7H2,1H3/q+1.
What are the key properties of diazepan-1-yloxy-ethoxy-oxophosphanium?
diazepan-1-yloxy-ethoxy-oxophosphanium has a molecular weight of 207.19 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diazepan-1-yloxy-ethoxy-oxophosphanium is sourced from PubChem (CID 174590901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).