N'-iodoethane-1,2-diamine

C2H7IN2 — CID 88558521

IUPACN'-iodoethane-1,2-diamine
SMILESNCCNI
InChIInChI=1S/C2H7IN2/c3-5-2-1-4/h5H,1-2,4H2
InChIKeyVNWJAKMTTJDYQN-UHFFFAOYSA-N
MW186.00 g/mol
LogP-0.12
Rot. Bonds2

About N'-iodoethane-1,2-diamine

N'-iodoethane-1,2-diamine (PubChem CID 88558521) has the molecular formula C2H7IN2 and a molecular weight of 186.00 g/mol. Its IUPAC name is N'-iodoethane-1,2-diamine.

Molecular Properties

Compound NameN'-iodoethane-1,2-diamine
PubChem CID88558521
Molecular FormulaC2H7IN2
Molecular Weight186.00 g/mol
Exact Mass185.97
IUPAC NameN'-iodoethane-1,2-diamine
SMILESNCCNI
InChIInChI=1S/C2H7IN2/c3-5-2-1-4/h5H,1-2,4H2
InChIKeyVNWJAKMTTJDYQN-UHFFFAOYSA-N
XLogP-0.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.00
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-iodoethane-1,2-diamine?
The IUPAC name of N'-iodoethane-1,2-diamine (CID 88558521) is N'-iodoethane-1,2-diamine.
What is the SMILES notation for N'-iodoethane-1,2-diamine?
The canonical SMILES for N'-iodoethane-1,2-diamine is NCCNI.
What is the InChIKey of N'-iodoethane-1,2-diamine?
The InChIKey is VNWJAKMTTJDYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7IN2/c3-5-2-1-4/h5H,1-2,4H2.
What are the key properties of N'-iodoethane-1,2-diamine?
N'-iodoethane-1,2-diamine has a molecular weight of 186.00 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-iodoethane-1,2-diamine is sourced from PubChem (CID 88558521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).