10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine

C18H22NOP — CID 147847135

IUPAC10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine
SMILESCC(C)P1(=O)c2ccccc2C(C)(C)c2cccc(N)c21
InChIInChI=1S/C18H22NOP/c1-12(2)21(20)16-11-6-5-8-13(16)18(3,4)14-9-7-10-15(19)17(14)21/h5-12H,19H2,1-4H3
InChIKeyHUCNEAUJPYLKBE-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.63
Rot. Bonds1

About 10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine

10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine (PubChem CID 147847135) has the molecular formula C18H22NOP and a molecular weight of 299.35 g/mol. Its IUPAC name is 10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine.

Molecular Properties

Compound Name10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine
PubChem CID147847135
Molecular FormulaC18H22NOP
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine
SMILESCC(C)P1(=O)c2ccccc2C(C)(C)c2cccc(N)c21
InChIInChI=1S/C18H22NOP/c1-12(2)21(20)16-11-6-5-8-13(16)18(3,4)14-9-7-10-15(19)17(14)21/h5-12H,19H2,1-4H3
InChIKeyHUCNEAUJPYLKBE-UHFFFAOYSA-N
XLogP3.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine?
The IUPAC name of 10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine (CID 147847135) is 10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine.
What is the SMILES notation for 10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine?
The canonical SMILES for 10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine is CC(C)P1(=O)c2ccccc2C(C)(C)c2cccc(N)c21.
What is the InChIKey of 10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine?
The InChIKey is HUCNEAUJPYLKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NOP/c1-12(2)21(20)16-11-6-5-8-13(16)18(3,4)14-9-7-10-15(19)17(14)21/h5-12H,19H2,1-4H3.
What are the key properties of 10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine?
10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine has a molecular weight of 299.35 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine is sourced from PubChem (CID 147847135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).