[(3E)-3-diaminophosphoryloxyiminobutyl]benzene

C10H16N3O2P — CID 88674892

IUPAC[(3E)-3-diaminophosphoryloxyiminobutyl]benzene
SMILESC/C(CCc1ccccc1)=N\OP(N)(N)=O
InChIInChI=1S/C10H16N3O2P/c1-9(13-15-16(11,12)14)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H4,11,12,14)/b13-9+
InChIKeyUZGMDLLODDWKMB-UKTHLTGXSA-N
MW241.23 g/mol
LogP2.04
Rot. Bonds5

About [(3E)-3-diaminophosphoryloxyiminobutyl]benzene

[(3E)-3-diaminophosphoryloxyiminobutyl]benzene (PubChem CID 88674892) has the molecular formula C10H16N3O2P and a molecular weight of 241.23 g/mol. Its IUPAC name is [(3E)-3-diaminophosphoryloxyiminobutyl]benzene.

Molecular Properties

Compound Name[(3E)-3-diaminophosphoryloxyiminobutyl]benzene
PubChem CID88674892
Molecular FormulaC10H16N3O2P
Molecular Weight241.23 g/mol
Exact Mass241.10
IUPAC Name[(3E)-3-diaminophosphoryloxyiminobutyl]benzene
SMILESC/C(CCc1ccccc1)=N\OP(N)(N)=O
InChIInChI=1S/C10H16N3O2P/c1-9(13-15-16(11,12)14)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H4,11,12,14)/b13-9+
InChIKeyUZGMDLLODDWKMB-UKTHLTGXSA-N
XLogP2.04
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl [(E)-4-phenylbutan-2-ylideneamino] carbonate
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N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline
CID 15442579
methyl N-[(Z)-4-phenylbutan-2-ylideneamino]carbamate
CID 9075450
[(E)-4-(6-methoxynaphthalen-2-yl)butan-2-ylideneamino] dihydrogen phosphate
CID 11585907
N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide
CID 9120882
(E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine
CID 135072310
N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide
CID 5333769
N-(2-methoxyphenyl)-4-phenylbutan-2-imine
CID 158891075
[(Z)-4-phenylbutan-2-ylideneamino]thiourea
CID 5360785
[(Z)-(6-methyl-1-phenylhept-6-en-3-ylidene)amino] acetate
CID 102207798
N-naphthalen-1-yl-4-phenylbutan-2-imine
CID 157374253

Frequently Asked Questions

What is the IUPAC name of [(3E)-3-diaminophosphoryloxyiminobutyl]benzene?
The IUPAC name of [(3E)-3-diaminophosphoryloxyiminobutyl]benzene (CID 88674892) is [(3E)-3-diaminophosphoryloxyiminobutyl]benzene.
What is the SMILES notation for [(3E)-3-diaminophosphoryloxyiminobutyl]benzene?
The canonical SMILES for [(3E)-3-diaminophosphoryloxyiminobutyl]benzene is C/C(CCc1ccccc1)=N\OP(N)(N)=O.
What is the InChIKey of [(3E)-3-diaminophosphoryloxyiminobutyl]benzene?
The InChIKey is UZGMDLLODDWKMB-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H16N3O2P/c1-9(13-15-16(11,12)14)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H4,11,12,14)/b13-9+.
What are the key properties of [(3E)-3-diaminophosphoryloxyiminobutyl]benzene?
[(3E)-3-diaminophosphoryloxyiminobutyl]benzene has a molecular weight of 241.23 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3-diaminophosphoryloxyiminobutyl]benzene is sourced from PubChem (CID 88674892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).