N'-iodo-N'-(2-iodoethyl)ethane-1,2-diamine

C4H10I2N2 — CID 90401102

IUPACN'-iodo-N'-(2-iodoethyl)ethane-1,2-diamine
SMILESNCCN(I)CCI
InChIInChI=1S/C4H10I2N2/c5-1-3-8(6)4-2-7/h1-4,7H2
InChIKeyBYCRQTGKEYIVJZ-UHFFFAOYSA-N
MW339.95 g/mol
LogP1.03
Rot. Bonds4

About N'-iodo-N'-(2-iodoethyl)ethane-1,2-diamine

N'-iodo-N'-(2-iodoethyl)ethane-1,2-diamine (PubChem CID 90401102) has the molecular formula C4H10I2N2 and a molecular weight of 339.95 g/mol. Its IUPAC name is N'-iodo-N'-(2-iodoethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-iodo-N'-(2-iodoethyl)ethane-1,2-diamine
PubChem CID90401102
Molecular FormulaC4H10I2N2
Molecular Weight339.95 g/mol
Exact Mass339.89
IUPAC NameN'-iodo-N'-(2-iodoethyl)ethane-1,2-diamine
SMILESNCCN(I)CCI
InChIInChI=1S/C4H10I2N2/c5-1-3-8(6)4-2-7/h1-4,7H2
InChIKeyBYCRQTGKEYIVJZ-UHFFFAOYSA-N
XLogP1.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.95
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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'-iodo-N'-(2-iodoethyl)ethane-1,2-diamine?
The IUPAC name of N'-iodo-N'-(2-iodoethyl)ethane-1,2-diamine (CID 90401102) is N'-iodo-N'-(2-iodoethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-iodo-N'-(2-iodoethyl)ethane-1,2-diamine?
The canonical SMILES for N'-iodo-N'-(2-iodoethyl)ethane-1,2-diamine is NCCN(I)CCI.
What is the InChIKey of N'-iodo-N'-(2-iodoethyl)ethane-1,2-diamine?
The InChIKey is BYCRQTGKEYIVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10I2N2/c5-1-3-8(6)4-2-7/h1-4,7H2.
What are the key properties of N'-iodo-N'-(2-iodoethyl)ethane-1,2-diamine?
N'-iodo-N'-(2-iodoethyl)ethane-1,2-diamine has a molecular weight of 339.95 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-iodo-N'-(2-iodoethyl)ethane-1,2-diamine is sourced from PubChem (CID 90401102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).