N'-(2-aminoethoxy)ethane-1,2-diamine

C4H13N3O — CID 54074422

IUPACN'-(2-aminoethoxy)ethane-1,2-diamine
SMILESNCCNOCCN
InChIInChI=1S/C4H13N3O/c5-1-3-7-8-4-2-6/h7H,1-6H2
InChIKeyMIRNLHSMPXOTOR-UHFFFAOYSA-N
MW119.17 g/mol
LogP-1.58
Rot. Bonds5

About N'-(2-aminoethoxy)ethane-1,2-diamine

N'-(2-aminoethoxy)ethane-1,2-diamine (PubChem CID 54074422) has the molecular formula C4H13N3O and a molecular weight of 119.17 g/mol. Its IUPAC name is N'-(2-aminoethoxy)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethoxy)ethane-1,2-diamine
PubChem CID54074422
Molecular FormulaC4H13N3O
Molecular Weight119.17 g/mol
Exact Mass119.11
IUPAC NameN'-(2-aminoethoxy)ethane-1,2-diamine
SMILESNCCNOCCN
InChIInChI=1S/C4H13N3O/c5-1-3-7-8-4-2-6/h7H,1-6H2
InChIKeyMIRNLHSMPXOTOR-UHFFFAOYSA-N
XLogP-1.58
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(2-aminoethoxy)ethane-1,2-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

N'-(2-methoxyethoxy)ethane-1,2-diamine
CID 130589028
4-(2-aminoethoxyamino)butanal
CID 143632834
N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine
CID 123161317
2-(5-aminopentylamino)oxyethanol
CID 88588722
2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine
CID 15792937
2-(benzylamino)oxyethanamine
CID 46183846
2-(2-aminoethoxy)ethanamine;azane
CID 87273439
(2-aminoethylamino) N-aminocarbamate
CID 174871175
2-(benzylamino)oxyethanamine;dihydrochloride
CID 46183845
(2-aminoethoxyamino)phosphonous acid
CID 87871888
2-(2-aminoethoxy)ethanamine;hydron;dichloride
CID 74764781
2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethoxy)ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethoxy)ethane-1,2-diamine (CID 54074422) is N'-(2-aminoethoxy)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethoxy)ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethoxy)ethane-1,2-diamine is NCCNOCCN.
What is the InChIKey of N'-(2-aminoethoxy)ethane-1,2-diamine?
The InChIKey is MIRNLHSMPXOTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3O/c5-1-3-7-8-4-2-6/h7H,1-6H2.
What are the key properties of N'-(2-aminoethoxy)ethane-1,2-diamine?
N'-(2-aminoethoxy)ethane-1,2-diamine has a molecular weight of 119.17 g/mol, XLogP of -1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethoxy)ethane-1,2-diamine is sourced from PubChem (CID 54074422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).