7-(methylaminomethyl)-3-phosphanylquinolin-2-amine

C11H14N3P — CID 171501697

IUPAC7-(methylaminomethyl)-3-phosphanylquinolin-2-amine
SMILESCNCc1ccc2cc(P)c(N)nc2c1
InChIInChI=1S/C11H14N3P/c1-13-6-7-2-3-8-5-10(15)11(12)14-9(8)4-7/h2-5,13H,6,15H2,1H3,(H2,12,14)
InChIKeyUHWQOXGOYSQQMU-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.04
Rot. Bonds2

About 7-(methylaminomethyl)-3-phosphanylquinolin-2-amine

7-(methylaminomethyl)-3-phosphanylquinolin-2-amine (PubChem CID 171501697) has the molecular formula C11H14N3P and a molecular weight of 219.23 g/mol. Its IUPAC name is 7-(methylaminomethyl)-3-phosphanylquinolin-2-amine.

Molecular Properties

Compound Name7-(methylaminomethyl)-3-phosphanylquinolin-2-amine
PubChem CID171501697
Molecular FormulaC11H14N3P
Molecular Weight219.23 g/mol
Exact Mass219.09
IUPAC Name7-(methylaminomethyl)-3-phosphanylquinolin-2-amine
SMILESCNCc1ccc2cc(P)c(N)nc2c1
InChIInChI=1S/C11H14N3P/c1-13-6-7-2-3-8-5-10(15)11(12)14-9(8)4-7/h2-5,13H,6,15H2,1H3,(H2,12,14)
InChIKeyUHWQOXGOYSQQMU-UHFFFAOYSA-N
XLogP1.04
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(methylaminomethyl)-3-phosphanylquinolin-2-amine?
The IUPAC name of 7-(methylaminomethyl)-3-phosphanylquinolin-2-amine (CID 171501697) is 7-(methylaminomethyl)-3-phosphanylquinolin-2-amine.
What is the SMILES notation for 7-(methylaminomethyl)-3-phosphanylquinolin-2-amine?
The canonical SMILES for 7-(methylaminomethyl)-3-phosphanylquinolin-2-amine is CNCc1ccc2cc(P)c(N)nc2c1.
What is the InChIKey of 7-(methylaminomethyl)-3-phosphanylquinolin-2-amine?
The InChIKey is UHWQOXGOYSQQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N3P/c1-13-6-7-2-3-8-5-10(15)11(12)14-9(8)4-7/h2-5,13H,6,15H2,1H3,(H2,12,14).
What are the key properties of 7-(methylaminomethyl)-3-phosphanylquinolin-2-amine?
7-(methylaminomethyl)-3-phosphanylquinolin-2-amine has a molecular weight of 219.23 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylaminomethyl)-3-phosphanylquinolin-2-amine is sourced from PubChem (CID 171501697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).