N-(methylphosphanylmethyl)ethanamine

C4H12NP — CID 59994731

IUPACN-(methylphosphanylmethyl)ethanamine
SMILESCCNCPC
InChIInChI=1S/C4H12NP/c1-3-5-4-6-2/h5-6H,3-4H2,1-2H3
InChIKeyDBQGOMPOAOYADK-UHFFFAOYSA-N
MW105.12 g/mol
LogP0.86
Rot. Bonds3

About N-(methylphosphanylmethyl)ethanamine

N-(methylphosphanylmethyl)ethanamine (PubChem CID 59994731) has the molecular formula C4H12NP and a molecular weight of 105.12 g/mol. Its IUPAC name is N-(methylphosphanylmethyl)ethanamine.

Molecular Properties

Compound NameN-(methylphosphanylmethyl)ethanamine
PubChem CID59994731
Molecular FormulaC4H12NP
Molecular Weight105.12 g/mol
Exact Mass105.07
IUPAC NameN-(methylphosphanylmethyl)ethanamine
SMILESCCNCPC
InChIInChI=1S/C4H12NP/c1-3-5-4-6-2/h5-6H,3-4H2,1-2H3
InChIKeyDBQGOMPOAOYADK-UHFFFAOYSA-N
XLogP0.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.12
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(methylphosphanylmethyl)ethanamine?
The IUPAC name of N-(methylphosphanylmethyl)ethanamine (CID 59994731) is N-(methylphosphanylmethyl)ethanamine.
What is the SMILES notation for N-(methylphosphanylmethyl)ethanamine?
The canonical SMILES for N-(methylphosphanylmethyl)ethanamine is CCNCPC.
What is the InChIKey of N-(methylphosphanylmethyl)ethanamine?
The InChIKey is DBQGOMPOAOYADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NP/c1-3-5-4-6-2/h5-6H,3-4H2,1-2H3.
What are the key properties of N-(methylphosphanylmethyl)ethanamine?
N-(methylphosphanylmethyl)ethanamine has a molecular weight of 105.12 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylphosphanylmethyl)ethanamine is sourced from PubChem (CID 59994731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).