4-methyl-1,4λ5-azaphosphepane 4-oxide

C6H14NOP — CID 167166277

IUPAC4-methyl-1,4λ5-azaphosphepane 4-oxide
SMILESCP1(=O)CCCNCC1
InChIInChI=1S/C6H14NOP/c1-9(8)5-2-3-7-4-6-9/h7H,2-6H2,1H3
InChIKeyWABDFELVURHYQP-UHFFFAOYSA-N
MW147.16 g/mol
LogP0.97
Rot. Bonds

About 4-methyl-1,4λ5-azaphosphepane 4-oxide

4-methyl-1,4λ5-azaphosphepane 4-oxide (PubChem CID 167166277) has the molecular formula C6H14NOP and a molecular weight of 147.16 g/mol. Its IUPAC name is 4-methyl-1,4λ5-azaphosphepane 4-oxide.

Molecular Properties

Compound Name4-methyl-1,4λ5-azaphosphepane 4-oxide
PubChem CID167166277
Molecular FormulaC6H14NOP
Molecular Weight147.16 g/mol
Exact Mass147.08
IUPAC Name4-methyl-1,4λ5-azaphosphepane 4-oxide
SMILESCP1(=O)CCCNCC1
InChIInChI=1S/C6H14NOP/c1-9(8)5-2-3-7-4-6-9/h7H,2-6H2,1H3
InChIKeyWABDFELVURHYQP-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.16
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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oxophosphanium;pyrrolidine
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4-ethyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride
CID 67316802
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ethane;pyrrolidine;hydrofluoride
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propan-2-one;pyrrolidine
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copper;pyrrolidine
CID 121303629
piperazine;pyrrolidine
CID 22624324
azacycloheptadecane
CID 22627811
1,4,7,10-tetrazacyclotridecane
CID 11478723
azepane;piperidine
CID 67415778
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4λ5-azaphosphepane 4-oxide?
The IUPAC name of 4-methyl-1,4λ5-azaphosphepane 4-oxide (CID 167166277) is 4-methyl-1,4λ5-azaphosphepane 4-oxide.
What is the SMILES notation for 4-methyl-1,4λ5-azaphosphepane 4-oxide?
The canonical SMILES for 4-methyl-1,4λ5-azaphosphepane 4-oxide is CP1(=O)CCCNCC1.
What is the InChIKey of 4-methyl-1,4λ5-azaphosphepane 4-oxide?
The InChIKey is WABDFELVURHYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NOP/c1-9(8)5-2-3-7-4-6-9/h7H,2-6H2,1H3.
What are the key properties of 4-methyl-1,4λ5-azaphosphepane 4-oxide?
4-methyl-1,4λ5-azaphosphepane 4-oxide has a molecular weight of 147.16 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4λ5-azaphosphepane 4-oxide is sourced from PubChem (CID 167166277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).