4-ethyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride

C6H15ClNOP — CID 67316802

IUPAC4-ethyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride
SMILESCCP1(=O)CCNCC1.Cl
InChIInChI=1S/C6H14NOP.ClH/c1-2-9(8)5-3-7-4-6-9;/h7H,2-6H2,1H3;1H
InChIKeyHPNSBWCVEKQYFC-UHFFFAOYSA-N
MW183.62 g/mol
LogP1.39
Rot. Bonds1

About 4-ethyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride

4-ethyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride (PubChem CID 67316802) has the molecular formula C6H15ClNOP and a molecular weight of 183.62 g/mol. Its IUPAC name is 4-ethyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride.

Molecular Properties

Compound Name4-ethyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride
PubChem CID67316802
Molecular FormulaC6H15ClNOP
Molecular Weight183.62 g/mol
Exact Mass183.06
IUPAC Name4-ethyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride
SMILESCCP1(=O)CCNCC1.Cl
InChIInChI=1S/C6H14NOP.ClH/c1-2-9(8)5-3-7-4-6-9;/h7H,2-6H2,1H3;1H
InChIKeyHPNSBWCVEKQYFC-UHFFFAOYSA-N
XLogP1.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.62
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride?
The IUPAC name of 4-ethyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride (CID 67316802) is 4-ethyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride.
What is the SMILES notation for 4-ethyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride?
The canonical SMILES for 4-ethyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride is CCP1(=O)CCNCC1.Cl.
What is the InChIKey of 4-ethyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride?
The InChIKey is HPNSBWCVEKQYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NOP.ClH/c1-2-9(8)5-3-7-4-6-9;/h7H,2-6H2,1H3;1H.
What are the key properties of 4-ethyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride?
4-ethyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride has a molecular weight of 183.62 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride is sourced from PubChem (CID 67316802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).