6-dimethylphosphanyl-2-methoxy-N-prop-2-ynylpyridin-3-amine

C11H15N2OP — CID 171574127

IUPAC6-dimethylphosphanyl-2-methoxy-N-prop-2-ynylpyridin-3-amine
SMILESC#CCNc1ccc(P(C)C)nc1OC
InChIInChI=1S/C11H15N2OP/c1-5-8-12-9-6-7-10(15(3)4)13-11(9)14-2/h1,6-7,12H,8H2,2-4H3
InChIKeyIQYSMZLYGGCTCV-UHFFFAOYSA-N
MW222.23 g/mol
LogP1.50
Rot. Bonds4

About 6-dimethylphosphanyl-2-methoxy-N-prop-2-ynylpyridin-3-amine

6-dimethylphosphanyl-2-methoxy-N-prop-2-ynylpyridin-3-amine (PubChem CID 171574127) has the molecular formula C11H15N2OP and a molecular weight of 222.23 g/mol. Its IUPAC name is 6-dimethylphosphanyl-2-methoxy-N-prop-2-ynylpyridin-3-amine.

Molecular Properties

Compound Name6-dimethylphosphanyl-2-methoxy-N-prop-2-ynylpyridin-3-amine
PubChem CID171574127
Molecular FormulaC11H15N2OP
Molecular Weight222.23 g/mol
Exact Mass222.09
IUPAC Name6-dimethylphosphanyl-2-methoxy-N-prop-2-ynylpyridin-3-amine
SMILESC#CCNc1ccc(P(C)C)nc1OC
InChIInChI=1S/C11H15N2OP/c1-5-8-12-9-6-7-10(15(3)4)13-11(9)14-2/h1,6-7,12H,8H2,2-4H3
InChIKeyIQYSMZLYGGCTCV-UHFFFAOYSA-N
XLogP1.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-dimethylphosphanyl-2-methoxy-N-prop-2-ynylpyridin-3-amine?
The IUPAC name of 6-dimethylphosphanyl-2-methoxy-N-prop-2-ynylpyridin-3-amine (CID 171574127) is 6-dimethylphosphanyl-2-methoxy-N-prop-2-ynylpyridin-3-amine.
What is the SMILES notation for 6-dimethylphosphanyl-2-methoxy-N-prop-2-ynylpyridin-3-amine?
The canonical SMILES for 6-dimethylphosphanyl-2-methoxy-N-prop-2-ynylpyridin-3-amine is C#CCNc1ccc(P(C)C)nc1OC.
What is the InChIKey of 6-dimethylphosphanyl-2-methoxy-N-prop-2-ynylpyridin-3-amine?
The InChIKey is IQYSMZLYGGCTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2OP/c1-5-8-12-9-6-7-10(15(3)4)13-11(9)14-2/h1,6-7,12H,8H2,2-4H3.
What are the key properties of 6-dimethylphosphanyl-2-methoxy-N-prop-2-ynylpyridin-3-amine?
6-dimethylphosphanyl-2-methoxy-N-prop-2-ynylpyridin-3-amine has a molecular weight of 222.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dimethylphosphanyl-2-methoxy-N-prop-2-ynylpyridin-3-amine is sourced from PubChem (CID 171574127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).