methyl-(2-methyl-1,3-diazinan-2-yl)phosphinic acid

C6H15N2O2P — CID 20532334

IUPACmethyl-(2-methyl-1,3-diazinan-2-yl)phosphinic acid
SMILESCC1(P(C)(=O)O)NCCCN1
InChIInChI=1S/C6H15N2O2P/c1-6(11(2,9)10)7-4-3-5-8-6/h7-8H,3-5H2,1-2H3,(H,9,10)
InChIKeyXTAQDVLHTANHIF-UHFFFAOYSA-N
MW178.17 g/mol
LogP0.14
Rot. Bonds1

About methyl-(2-methyl-1,3-diazinan-2-yl)phosphinic acid

methyl-(2-methyl-1,3-diazinan-2-yl)phosphinic acid (PubChem CID 20532334) has the molecular formula C6H15N2O2P and a molecular weight of 178.17 g/mol. Its IUPAC name is methyl-(2-methyl-1,3-diazinan-2-yl)phosphinic acid.

Molecular Properties

Compound Namemethyl-(2-methyl-1,3-diazinan-2-yl)phosphinic acid
PubChem CID20532334
Molecular FormulaC6H15N2O2P
Molecular Weight178.17 g/mol
Exact Mass178.09
IUPAC Namemethyl-(2-methyl-1,3-diazinan-2-yl)phosphinic acid
SMILESCC1(P(C)(=O)O)NCCCN1
InChIInChI=1S/C6H15N2O2P/c1-6(11(2,9)10)7-4-3-5-8-6/h7-8H,3-5H2,1-2H3,(H,9,10)
InChIKeyXTAQDVLHTANHIF-UHFFFAOYSA-N
XLogP0.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl-(2-methyl-1,3-diazinan-2-yl)phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,3,3,9,9,10,10-octamethyl-1,4,8,11-tetrazacyclotetradecane
CID 71341029
(2-phosphonopyrrolidin-2-yl)phosphonic acid
CID 12886166
azetidine;phosphoric acid
CID 172755037
sodium methyl-(2-methyl-1,3-thiazinan-2-yl)phosphinate
CID 23701870
(2R)-2-methylpyrrolidin-2-ol
CID 146841570
phosphoric acid;tris(pyrrolidine)
CID 172771048
2-methyl-1-(2-methylpyrrolidin-2-yl)prop-2-en-1-one
CID 116580467
2,2,3,3-tetramethyl-1,4,8,11-tetrazacyclotetradecane;tetrahydrobromide
CID 71677223
(1-methylcyclohexyl)phosphonic acid
CID 154345979
(2-methylpyrrolidin-2-yl)methyl carbamate
CID 175172887
methanol;2-methylpyrrolidine-2-carbaldehyde
CID 143757683
dimethylphosphinic acid;ethene
CID 159258868

Frequently Asked Questions

What is the IUPAC name of methyl-(2-methyl-1,3-diazinan-2-yl)phosphinic acid?
The IUPAC name of methyl-(2-methyl-1,3-diazinan-2-yl)phosphinic acid (CID 20532334) is methyl-(2-methyl-1,3-diazinan-2-yl)phosphinic acid.
What is the SMILES notation for methyl-(2-methyl-1,3-diazinan-2-yl)phosphinic acid?
The canonical SMILES for methyl-(2-methyl-1,3-diazinan-2-yl)phosphinic acid is CC1(P(C)(=O)O)NCCCN1.
What is the InChIKey of methyl-(2-methyl-1,3-diazinan-2-yl)phosphinic acid?
The InChIKey is XTAQDVLHTANHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N2O2P/c1-6(11(2,9)10)7-4-3-5-8-6/h7-8H,3-5H2,1-2H3,(H,9,10).
What are the key properties of methyl-(2-methyl-1,3-diazinan-2-yl)phosphinic acid?
methyl-(2-methyl-1,3-diazinan-2-yl)phosphinic acid has a molecular weight of 178.17 g/mol, XLogP of 0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methyl-1,3-diazinan-2-yl)phosphinic acid is sourced from PubChem (CID 20532334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).