4-methylphosphanylbenzenecarboximidamide

C8H11N2P — CID 156750976

IUPAC4-methylphosphanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(PC)cc1
InChIInChI=1S/C8H11N2P/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,11H,1H3,(H3,9,10)
InChIKeyQHYIQKVEZBXSFN-UHFFFAOYSA-N
MW166.16 g/mol
LogP0.90
Rot. Bonds2

About 4-methylphosphanylbenzenecarboximidamide

4-methylphosphanylbenzenecarboximidamide (PubChem CID 156750976) has the molecular formula C8H11N2P and a molecular weight of 166.16 g/mol. Its IUPAC name is 4-methylphosphanylbenzenecarboximidamide.

Molecular Properties

Compound Name4-methylphosphanylbenzenecarboximidamide
PubChem CID156750976
Molecular FormulaC8H11N2P
Molecular Weight166.16 g/mol
Exact Mass166.07
IUPAC Name4-methylphosphanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(PC)cc1
InChIInChI=1S/C8H11N2P/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,11H,1H3,(H3,9,10)
InChIKeyQHYIQKVEZBXSFN-UHFFFAOYSA-N
XLogP0.90
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylphosphanylbenzenecarboximidamide?
The IUPAC name of 4-methylphosphanylbenzenecarboximidamide (CID 156750976) is 4-methylphosphanylbenzenecarboximidamide.
What is the SMILES notation for 4-methylphosphanylbenzenecarboximidamide?
The canonical SMILES for 4-methylphosphanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(PC)cc1.
What is the InChIKey of 4-methylphosphanylbenzenecarboximidamide?
The InChIKey is QHYIQKVEZBXSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2P/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,11H,1H3,(H3,9,10).
What are the key properties of 4-methylphosphanylbenzenecarboximidamide?
4-methylphosphanylbenzenecarboximidamide has a molecular weight of 166.16 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylphosphanylbenzenecarboximidamide is sourced from PubChem (CID 156750976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).