1-methoxy-N-(phosphanylmethyl)-N-propan-2-ylpropan-2-amine

C8H20NOP — CID 177341857

IUPAC1-methoxy-N-(phosphanylmethyl)-N-propan-2-ylpropan-2-amine
SMILESCOCC(C)N(CP)C(C)C
InChIInChI=1S/C8H20NOP/c1-7(2)9(6-11)8(3)5-10-4/h7-8H,5-6,11H2,1-4H3
InChIKeyOMMMRHQMYGDGBJ-UHFFFAOYSA-N
MW177.23 g/mol
LogP1.56
Rot. Bonds5

About 1-methoxy-N-(phosphanylmethyl)-N-propan-2-ylpropan-2-amine

1-methoxy-N-(phosphanylmethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 177341857) has the molecular formula C8H20NOP and a molecular weight of 177.23 g/mol. Its IUPAC name is 1-methoxy-N-(phosphanylmethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-(phosphanylmethyl)-N-propan-2-ylpropan-2-amine
PubChem CID177341857
Molecular FormulaC8H20NOP
Molecular Weight177.23 g/mol
Exact Mass177.13
IUPAC Name1-methoxy-N-(phosphanylmethyl)-N-propan-2-ylpropan-2-amine
SMILESCOCC(C)N(CP)C(C)C
InChIInChI=1S/C8H20NOP/c1-7(2)9(6-11)8(3)5-10-4/h7-8H,5-6,11H2,1-4H3
InChIKeyOMMMRHQMYGDGBJ-UHFFFAOYSA-N
XLogP1.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxy-N-(phosphanylmethyl)-N-propan-2-ylpropan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(phosphanylmethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1-methoxy-N-(phosphanylmethyl)-N-propan-2-ylpropan-2-amine (CID 177341857) is 1-methoxy-N-(phosphanylmethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1-methoxy-N-(phosphanylmethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1-methoxy-N-(phosphanylmethyl)-N-propan-2-ylpropan-2-amine is COCC(C)N(CP)C(C)C.
What is the InChIKey of 1-methoxy-N-(phosphanylmethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is OMMMRHQMYGDGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NOP/c1-7(2)9(6-11)8(3)5-10-4/h7-8H,5-6,11H2,1-4H3.
What are the key properties of 1-methoxy-N-(phosphanylmethyl)-N-propan-2-ylpropan-2-amine?
1-methoxy-N-(phosphanylmethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 177.23 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(phosphanylmethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 177341857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).