1-(1,1-diaminoethoxy)ethane-1,1-diamine

C4H14N4O — CID 19073846

IUPAC1-(1,1-diaminoethoxy)ethane-1,1-diamine
SMILESCC(N)(N)OC(C)(N)N
InChIInChI=1S/C4H14N4O/c1-3(5,6)9-4(2,7)8/h5-8H2,1-2H3
InChIKeyJLFYQMKUZDSPOP-UHFFFAOYSA-N
MW134.18 g/mol
LogP-1.81
Rot. Bonds2

About 1-(1,1-diaminoethoxy)ethane-1,1-diamine

1-(1,1-diaminoethoxy)ethane-1,1-diamine (PubChem CID 19073846) has the molecular formula C4H14N4O and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-(1,1-diaminoethoxy)ethane-1,1-diamine.

Molecular Properties

Compound Name1-(1,1-diaminoethoxy)ethane-1,1-diamine
PubChem CID19073846
Molecular FormulaC4H14N4O
Molecular Weight134.18 g/mol
Exact Mass134.12
IUPAC Name1-(1,1-diaminoethoxy)ethane-1,1-diamine
SMILESCC(N)(N)OC(C)(N)N
InChIInChI=1S/C4H14N4O/c1-3(5,6)9-4(2,7)8/h5-8H2,1-2H3
InChIKeyJLFYQMKUZDSPOP-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 1-(1,1-diaminoethoxy)ethane-1,1-diamine 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-Ethoxyethane-1,1-diamine
CID 18415512
1-(1,1-Diaminopropoxy)propane-1,1-diamine
CID 19360642
1-Ethoxypropane-1,1-diamine
CID 21798489
2-Aminopropan-2-yloxymethanetriamine
CID 89038805
1-Propoxyethane-1,1-diamine
CID 123766061

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-diaminoethoxy)ethane-1,1-diamine?
The IUPAC name of 1-(1,1-diaminoethoxy)ethane-1,1-diamine (CID 19073846) is 1-(1,1-diaminoethoxy)ethane-1,1-diamine.
What is the SMILES notation for 1-(1,1-diaminoethoxy)ethane-1,1-diamine?
The canonical SMILES for 1-(1,1-diaminoethoxy)ethane-1,1-diamine is CC(N)(N)OC(C)(N)N.
What is the InChIKey of 1-(1,1-diaminoethoxy)ethane-1,1-diamine?
The InChIKey is JLFYQMKUZDSPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N4O/c1-3(5,6)9-4(2,7)8/h5-8H2,1-2H3.
What are the key properties of 1-(1,1-diaminoethoxy)ethane-1,1-diamine?
1-(1,1-diaminoethoxy)ethane-1,1-diamine 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 1-(1,1-diaminoethoxy)ethane-1,1-diamine is sourced from PubChem (CID 19073846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).