bis(azepan-4-ylmethoxy)-oxophosphanium

C14H28N2O3P+ — CID 175450860

IUPACbis(azepan-4-ylmethoxy)-oxophosphanium
SMILESO=[P+](OCC1CCCNCC1)OCC1CCCNCC1
InChIInChI=1S/C14H28N2O3P/c17-20(18-11-13-3-1-7-15-9-5-13)19-12-14-4-2-8-16-10-6-14/h13-16H,1-12H2/q+1
InChIKeySAEDEFMSUYNGRH-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.46
Rot. Bonds6

About bis(azepan-4-ylmethoxy)-oxophosphanium

bis(azepan-4-ylmethoxy)-oxophosphanium (PubChem CID 175450860) has the molecular formula C14H28N2O3P+ and a molecular weight of 303.36 g/mol. Its IUPAC name is bis(azepan-4-ylmethoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(azepan-4-ylmethoxy)-oxophosphanium
PubChem CID175450860
Molecular FormulaC14H28N2O3P+
Molecular Weight303.36 g/mol
Exact Mass303.18
IUPAC Namebis(azepan-4-ylmethoxy)-oxophosphanium
SMILESO=[P+](OCC1CCCNCC1)OCC1CCCNCC1
InChIInChI=1S/C14H28N2O3P/c17-20(18-11-13-3-1-7-15-9-5-13)19-12-14-4-2-8-16-10-6-14/h13-16H,1-12H2/q+1
InChIKeySAEDEFMSUYNGRH-UHFFFAOYSA-N
XLogP2.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3,3-difluoropropoxymethyl)azepane
CID 84675203
4-(methylsulfonylmethyl)azepane
CID 170910432
2-[(4R)-azepan-4-yl]ethanol
CID 98601299
4-[2-(cyclohexylmethoxy)ethyl]piperidine
CID 62383196
ethyl 3-(azepan-4-yl)propanoate;hydrochloride
CID 126845771
piperidin-4-ylmethoxymethylalumane
CID 146804034
piperidin-4-ylmethyl formate;hydrochloride
CID 174937459
(3S)-3-(cyclobutylmethoxymethyl)pyrrolidine
CID 86321931
4-prop-2-ynylazepane
CID 83261379
azepan-4-amine;dihydrochloride
CID 118989390
ethyl 2-(azocan-5-yl)acetate
CID 123423074
3-[(4R)-azepan-4-yl]-1,1,1-trifluoropropan-2-one
CID 58465003

Frequently Asked Questions

What is the IUPAC name of bis(azepan-4-ylmethoxy)-oxophosphanium?
The IUPAC name of bis(azepan-4-ylmethoxy)-oxophosphanium (CID 175450860) is bis(azepan-4-ylmethoxy)-oxophosphanium.
What is the SMILES notation for bis(azepan-4-ylmethoxy)-oxophosphanium?
The canonical SMILES for bis(azepan-4-ylmethoxy)-oxophosphanium is O=[P+](OCC1CCCNCC1)OCC1CCCNCC1.
What is the InChIKey of bis(azepan-4-ylmethoxy)-oxophosphanium?
The InChIKey is SAEDEFMSUYNGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3P/c17-20(18-11-13-3-1-7-15-9-5-13)19-12-14-4-2-8-16-10-6-14/h13-16H,1-12H2/q+1.
What are the key properties of bis(azepan-4-ylmethoxy)-oxophosphanium?
bis(azepan-4-ylmethoxy)-oxophosphanium has a molecular weight of 303.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(azepan-4-ylmethoxy)-oxophosphanium is sourced from PubChem (CID 175450860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).