N-[(R)-diethoxyphosphoryl(furan-2-yl)methyl]-6-methylpyridin-1-ium-2-amine

C15H22N2O4P+ — CID 7323424

IUPACN-[(R)-diethoxyphosphoryl(furan-2-yl)methyl]-6-methylpyridin-1-ium-2-amine
SMILESCCOP(=O)(OCC)[C@@H](Nc1cccc(C)[nH+]1)c1ccco1
InChIInChI=1S/C15H21N2O4P/c1-4-20-22(18,21-5-2)15(13-9-7-11-19-13)17-14-10-6-8-12(3)16-14/h6-11,15H,4-5H2,1-3H3,(H,16,17)/p+1/t15-/m1/s1
InChIKeyRISHQPLQXKHZJA-OAHLLOKOSA-O
MW325.33 g/mol
LogP3.78
Rot. Bonds8

About N-[(R)-diethoxyphosphoryl(furan-2-yl)methyl]-6-methylpyridin-1-ium-2-amine

N-[(R)-diethoxyphosphoryl(furan-2-yl)methyl]-6-methylpyridin-1-ium-2-amine (PubChem CID 7323424) has the molecular formula C15H22N2O4P+ and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[(R)-diethoxyphosphoryl(furan-2-yl)methyl]-6-methylpyridin-1-ium-2-amine.

Molecular Properties

Compound NameN-[(R)-diethoxyphosphoryl(furan-2-yl)methyl]-6-methylpyridin-1-ium-2-amine
PubChem CID7323424
Molecular FormulaC15H22N2O4P+
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC NameN-[(R)-diethoxyphosphoryl(furan-2-yl)methyl]-6-methylpyridin-1-ium-2-amine
SMILESCCOP(=O)(OCC)[C@@H](Nc1cccc(C)[nH+]1)c1ccco1
InChIInChI=1S/C15H21N2O4P/c1-4-20-22(18,21-5-2)15(13-9-7-11-19-13)17-14-10-6-8-12(3)16-14/h6-11,15H,4-5H2,1-3H3,(H,16,17)/p+1/t15-/m1/s1
InChIKeyRISHQPLQXKHZJA-OAHLLOKOSA-O
XLogP3.78
TPSA74.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[diethoxyphosphoryl(ethoxy)methyl]furan
CID 71381055
diethyl 2-[diethoxyphosphoryl(furan-2-yl)methyl]propanedioate;hydrate
CID 52997745
N-[diethoxyphosphoryl(furan-2-yl)methyl]-N-phenylhydroxylamine
CID 11278792
2-diethoxyphosphoryl-1-(furan-2-yl)ethanamine
CID 72796397
(1S)-2-diethoxyphosphoryl-1-(furan-2-yl)ethanol
CID 11299626
[(1S)-4-chloro-4-diethoxyphosphoryl-1-(furan-2-yl)-3-oxobutyl] butanoate
CID 23421874
ethyl 2-diethoxyphosphoryl-3-(furan-2-yl)-3-oxopropanoate
CID 10591620
N-[diethoxyphosphoryl(phenyl)methyl]-2-methylsulfanylaniline
CID 102431976
2-[diethoxyphosphoryl(furan-2-yl)methoxy]-5,5-dimethyl-1,3,2-dioxarsinane
CID 23412694
ethyl (3S)-3-(furan-2-yl)-3-(hydroxyamino)propanoate
CID 125473077
N-[(3-bromophenyl)-diethoxyphosphorylmethyl]-3-methylaniline
CID 25227809
N-[diethoxyphosphoryl-(4-methylphenyl)methyl]-2-methylaniline
CID 102378436

Frequently Asked Questions

What is the IUPAC name of N-[(R)-diethoxyphosphoryl(furan-2-yl)methyl]-6-methylpyridin-1-ium-2-amine?
The IUPAC name of N-[(R)-diethoxyphosphoryl(furan-2-yl)methyl]-6-methylpyridin-1-ium-2-amine (CID 7323424) is N-[(R)-diethoxyphosphoryl(furan-2-yl)methyl]-6-methylpyridin-1-ium-2-amine.
What is the SMILES notation for N-[(R)-diethoxyphosphoryl(furan-2-yl)methyl]-6-methylpyridin-1-ium-2-amine?
The canonical SMILES for N-[(R)-diethoxyphosphoryl(furan-2-yl)methyl]-6-methylpyridin-1-ium-2-amine is CCOP(=O)(OCC)[C@@H](Nc1cccc(C)[nH+]1)c1ccco1.
What is the InChIKey of N-[(R)-diethoxyphosphoryl(furan-2-yl)methyl]-6-methylpyridin-1-ium-2-amine?
The InChIKey is RISHQPLQXKHZJA-OAHLLOKOSA-O. The full InChI is InChI=1S/C15H21N2O4P/c1-4-20-22(18,21-5-2)15(13-9-7-11-19-13)17-14-10-6-8-12(3)16-14/h6-11,15H,4-5H2,1-3H3,(H,16,17)/p+1/t15-/m1/s1.
What are the key properties of N-[(R)-diethoxyphosphoryl(furan-2-yl)methyl]-6-methylpyridin-1-ium-2-amine?
N-[(R)-diethoxyphosphoryl(furan-2-yl)methyl]-6-methylpyridin-1-ium-2-amine has a molecular weight of 325.33 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-diethoxyphosphoryl(furan-2-yl)methyl]-6-methylpyridin-1-ium-2-amine is sourced from PubChem (CID 7323424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).