N'-[2-(iodoamino)ethyl]ethane-1,2-diamine

C4H12IN3 — CID 21419877

IUPACN'-[2-(iodoamino)ethyl]ethane-1,2-diamine
SMILESNCCNCCNI
InChIInChI=1S/C4H12IN3/c5-8-4-3-7-2-1-6/h7-8H,1-4,6H2
InChIKeyXMKJFHILDUEDOB-UHFFFAOYSA-N
MW229.06 g/mol
LogP-0.53
Rot. Bonds5

About N'-[2-(iodoamino)ethyl]ethane-1,2-diamine

N'-[2-(iodoamino)ethyl]ethane-1,2-diamine (PubChem CID 21419877) has the molecular formula C4H12IN3 and a molecular weight of 229.06 g/mol. Its IUPAC name is N'-[2-(iodoamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(iodoamino)ethyl]ethane-1,2-diamine
PubChem CID21419877
Molecular FormulaC4H12IN3
Molecular Weight229.06 g/mol
Exact Mass229.01
IUPAC NameN'-[2-(iodoamino)ethyl]ethane-1,2-diamine
SMILESNCCNCCNI
InChIInChI=1S/C4H12IN3/c5-8-4-3-7-2-1-6/h7-8H,1-4,6H2
InChIKeyXMKJFHILDUEDOB-UHFFFAOYSA-N
XLogP-0.53
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.06
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'-[2-(iodoamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(iodoamino)ethyl]ethane-1,2-diamine (CID 21419877) is N'-[2-(iodoamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(iodoamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(iodoamino)ethyl]ethane-1,2-diamine is NCCNCCNI.
What is the InChIKey of N'-[2-(iodoamino)ethyl]ethane-1,2-diamine?
The InChIKey is XMKJFHILDUEDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12IN3/c5-8-4-3-7-2-1-6/h7-8H,1-4,6H2.
What are the key properties of N'-[2-(iodoamino)ethyl]ethane-1,2-diamine?
N'-[2-(iodoamino)ethyl]ethane-1,2-diamine has a molecular weight of 229.06 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(iodoamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 21419877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).