N'-(2-aminoethyl)-N'-iodoethane-1,2-diamine

C4H12IN3 — CID 89302639

IUPACN'-(2-aminoethyl)-N'-iodoethane-1,2-diamine
SMILESNCCN(I)CCN
InChIInChI=1S/C4H12IN3/c5-8(3-1-6)4-2-7/h1-4,6-7H2
InChIKeyGNYAUZTWORSOSQ-UHFFFAOYSA-N
MW229.06 g/mol
LogP-0.44
Rot. Bonds4

About N'-(2-aminoethyl)-N'-iodoethane-1,2-diamine

N'-(2-aminoethyl)-N'-iodoethane-1,2-diamine (PubChem CID 89302639) has the molecular formula C4H12IN3 and a molecular weight of 229.06 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-iodoethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-iodoethane-1,2-diamine
PubChem CID89302639
Molecular FormulaC4H12IN3
Molecular Weight229.06 g/mol
Exact Mass229.01
IUPAC NameN'-(2-aminoethyl)-N'-iodoethane-1,2-diamine
SMILESNCCN(I)CCN
InChIInChI=1S/C4H12IN3/c5-8(3-1-6)4-2-7/h1-4,6-7H2
InChIKeyGNYAUZTWORSOSQ-UHFFFAOYSA-N
XLogP-0.44
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.06
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-iodoethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-iodoethane-1,2-diamine (CID 89302639) is N'-(2-aminoethyl)-N'-iodoethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-iodoethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-iodoethane-1,2-diamine is NCCN(I)CCN.
What is the InChIKey of N'-(2-aminoethyl)-N'-iodoethane-1,2-diamine?
The InChIKey is GNYAUZTWORSOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12IN3/c5-8(3-1-6)4-2-7/h1-4,6-7H2.
What are the key properties of N'-(2-aminoethyl)-N'-iodoethane-1,2-diamine?
N'-(2-aminoethyl)-N'-iodoethane-1,2-diamine has a molecular weight of 229.06 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-iodoethane-1,2-diamine is sourced from PubChem (CID 89302639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).