2-aminopropan-2-yloxymethanetriamine

C4H14N4O — CID 89038805

IUPAC2-aminopropan-2-yloxymethanetriamine
SMILESCC(C)(N)OC(N)(N)N
InChIInChI=1S/C4H14N4O/c1-3(2,5)9-4(6,7)8/h5-8H2,1-2H3
InChIKeyXGABNGBPJRJGOI-UHFFFAOYSA-N
MW134.18 g/mol
LogP-1.81
Rot. Bonds2

About 2-aminopropan-2-yloxymethanetriamine

2-aminopropan-2-yloxymethanetriamine (PubChem CID 89038805) has the molecular formula C4H14N4O and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-aminopropan-2-yloxymethanetriamine.

Molecular Properties

Compound Name2-aminopropan-2-yloxymethanetriamine
PubChem CID89038805
Molecular FormulaC4H14N4O
Molecular Weight134.18 g/mol
Exact Mass134.12
IUPAC Name2-aminopropan-2-yloxymethanetriamine
SMILESCC(C)(N)OC(N)(N)N
InChIInChI=1S/C4H14N4O/c1-3(2,5)9-4(6,7)8/h5-8H2,1-2H3
InChIKeyXGABNGBPJRJGOI-UHFFFAOYSA-N
XLogP-1.81
TPSA113.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-aminopropan-2-yloxymethanetriamine 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

1-(1,1-Diaminoethoxy)ethane-1,1-diamine
CID 19073846
1-(1,1-Diaminopropoxy)propane-1,1-diamine
CID 19360642
2-(2-Aminopropan-2-yloxy)propan-2-amine
CID 22446072
2-Aminobutan-2-yl cyanate
CID 122650825

Frequently Asked Questions

What is the IUPAC name of 2-aminopropan-2-yloxymethanetriamine?
The IUPAC name of 2-aminopropan-2-yloxymethanetriamine (CID 89038805) is 2-aminopropan-2-yloxymethanetriamine.
What is the SMILES notation for 2-aminopropan-2-yloxymethanetriamine?
The canonical SMILES for 2-aminopropan-2-yloxymethanetriamine is CC(C)(N)OC(N)(N)N.
What is the InChIKey of 2-aminopropan-2-yloxymethanetriamine?
The InChIKey is XGABNGBPJRJGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N4O/c1-3(2,5)9-4(6,7)8/h5-8H2,1-2H3.
What are the key properties of 2-aminopropan-2-yloxymethanetriamine?
2-aminopropan-2-yloxymethanetriamine has a molecular weight of 134.18 g/mol, XLogP of -1.81, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropan-2-yloxymethanetriamine is sourced from PubChem (CID 89038805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).