1,1-diaminobutan-2-ylidene-oxido-phenylphosphanium

C10H15N2OP — CID 151818448

IUPAC1,1-diaminobutan-2-ylidene-oxido-phenylphosphanium
SMILESCCC(C(N)N)=[P+]([O-])c1ccccc1
InChIInChI=1S/C10H15N2OP/c1-2-9(10(11)12)14(13)8-6-4-3-5-7-8/h3-7,10H,2,11-12H2,1H3
InChIKeySCCVAQUYZSSFHX-UHFFFAOYSA-N
MW210.22 g/mol
LogP-0.10
Rot. Bonds3

About 1,1-diaminobutan-2-ylidene-oxido-phenylphosphanium

1,1-diaminobutan-2-ylidene-oxido-phenylphosphanium (PubChem CID 151818448) has the molecular formula C10H15N2OP and a molecular weight of 210.22 g/mol. Its IUPAC name is 1,1-diaminobutan-2-ylidene-oxido-phenylphosphanium.

Molecular Properties

Compound Name1,1-diaminobutan-2-ylidene-oxido-phenylphosphanium
PubChem CID151818448
Molecular FormulaC10H15N2OP
Molecular Weight210.22 g/mol
Exact Mass210.09
IUPAC Name1,1-diaminobutan-2-ylidene-oxido-phenylphosphanium
SMILESCCC(C(N)N)=[P+]([O-])c1ccccc1
InChIInChI=1S/C10H15N2OP/c1-2-9(10(11)12)14(13)8-6-4-3-5-7-8/h3-7,10H,2,11-12H2,1H3
InChIKeySCCVAQUYZSSFHX-UHFFFAOYSA-N
XLogP-0.10
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate
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[C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium
CID 110190741
1-iodobutyl-oxo-phenylphosphanium
CID 163843662
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2-amino-1,1-diphenylethanol;2-methylpropane
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1-amino-4-ethyl-2-phenylhexan-3-ol
CID 65186056
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Frequently Asked Questions

What is the IUPAC name of 1,1-diaminobutan-2-ylidene-oxido-phenylphosphanium?
The IUPAC name of 1,1-diaminobutan-2-ylidene-oxido-phenylphosphanium (CID 151818448) is 1,1-diaminobutan-2-ylidene-oxido-phenylphosphanium.
What is the SMILES notation for 1,1-diaminobutan-2-ylidene-oxido-phenylphosphanium?
The canonical SMILES for 1,1-diaminobutan-2-ylidene-oxido-phenylphosphanium is CCC(C(N)N)=[P+]([O-])c1ccccc1.
What is the InChIKey of 1,1-diaminobutan-2-ylidene-oxido-phenylphosphanium?
The InChIKey is SCCVAQUYZSSFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2OP/c1-2-9(10(11)12)14(13)8-6-4-3-5-7-8/h3-7,10H,2,11-12H2,1H3.
What are the key properties of 1,1-diaminobutan-2-ylidene-oxido-phenylphosphanium?
1,1-diaminobutan-2-ylidene-oxido-phenylphosphanium has a molecular weight of 210.22 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diaminobutan-2-ylidene-oxido-phenylphosphanium is sourced from PubChem (CID 151818448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).