N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid

C6H17N3O3 — CID 157318736

IUPACN'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid
SMILESCC(=O)OO.NCCNCCN
InChIInChI=1S/C4H13N3.C2H4O3/c5-1-3-7-4-2-6;1-2(3)5-4/h7H,1-6H2;4H,1H3
InChIKeyBDXIYGOFDUAVNJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP-1.48
Rot. Bonds4

About N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid

N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid (PubChem CID 157318736) has the molecular formula C6H17N3O3 and a molecular weight of 179.22 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid.

Molecular Properties

Compound NameN'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid
PubChem CID157318736
Molecular FormulaC6H17N3O3
Molecular Weight179.22 g/mol
Exact Mass179.13
IUPAC NameN'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid
SMILESCC(=O)OO.NCCNCCN
InChIInChI=1S/C4H13N3.C2H4O3/c5-1-3-7-4-2-6;1-2(3)5-4/h7H,1-6H2;4H,1H3
InChIKeyBDXIYGOFDUAVNJ-UHFFFAOYSA-N
XLogP-1.48
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;azane;dihydrate
CID 173303961
N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate
CID 23344028
pentacalcium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);decaacetate
CID 173203921
azanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate
CID 157360906
[diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate
CID 22457230
acetic acid;2-(2-aminoethylamino)ethanol
CID 87485806
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;gadolinium(3+);triacetate
CID 158309087
[acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate
CID 87568873
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid?
The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid (CID 157318736) is N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid.
What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid?
The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid is CC(=O)OO.NCCNCCN.
What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid?
The InChIKey is BDXIYGOFDUAVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3.C2H4O3/c5-1-3-7-4-2-6;1-2(3)5-4/h7H,1-6H2;4H,1H3.
What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid?
N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid has a molecular weight of 179.22 g/mol, XLogP of -1.48, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid is sourced from PubChem (CID 157318736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).