N-methyl-2-phosphorosoethanamine

C3H8NOP — CID 59185346

IUPACN-methyl-2-phosphorosoethanamine
SMILESCNCCP=O
InChIInChI=1S/C3H8NOP/c1-4-2-3-6-5/h4H,2-3H2,1H3
InChIKeyXUNMOQMQPNFDQU-UHFFFAOYSA-N
MW105.08 g/mol
LogP0.50
Rot. Bonds3

About N-methyl-2-phosphorosoethanamine

N-methyl-2-phosphorosoethanamine (PubChem CID 59185346) has the molecular formula C3H8NOP and a molecular weight of 105.08 g/mol. Its IUPAC name is N-methyl-2-phosphorosoethanamine.

Molecular Properties

Compound NameN-methyl-2-phosphorosoethanamine
PubChem CID59185346
Molecular FormulaC3H8NOP
Molecular Weight105.08 g/mol
Exact Mass105.03
IUPAC NameN-methyl-2-phosphorosoethanamine
SMILESCNCCP=O
InChIInChI=1S/C3H8NOP/c1-4-2-3-6-5/h4H,2-3H2,1H3
InChIKeyXUNMOQMQPNFDQU-UHFFFAOYSA-N
XLogP0.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.08
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phosphorosoethanamine?
The IUPAC name of N-methyl-2-phosphorosoethanamine (CID 59185346) is N-methyl-2-phosphorosoethanamine.
What is the SMILES notation for N-methyl-2-phosphorosoethanamine?
The canonical SMILES for N-methyl-2-phosphorosoethanamine is CNCCP=O.
What is the InChIKey of N-methyl-2-phosphorosoethanamine?
The InChIKey is XUNMOQMQPNFDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NOP/c1-4-2-3-6-5/h4H,2-3H2,1H3.
What are the key properties of N-methyl-2-phosphorosoethanamine?
N-methyl-2-phosphorosoethanamine has a molecular weight of 105.08 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phosphorosoethanamine is sourced from PubChem (CID 59185346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).