N'-[2-[2-aminoethyl(iodo)amino]ethyl]ethane-1,2-diamine

C6H17IN4 — CID 138548509

IUPACN'-[2-[2-aminoethyl(iodo)amino]ethyl]ethane-1,2-diamine
SMILESNCCNCCN(I)CCN
InChIInChI=1S/C6H17IN4/c7-11(5-2-9)6-4-10-3-1-8/h10H,1-6,8-9H2
InChIKeyBOVFWMGZPLSYBY-UHFFFAOYSA-N
MW272.13 g/mol
LogP-0.85
Rot. Bonds7

About N'-[2-[2-aminoethyl(iodo)amino]ethyl]ethane-1,2-diamine

N'-[2-[2-aminoethyl(iodo)amino]ethyl]ethane-1,2-diamine (PubChem CID 138548509) has the molecular formula C6H17IN4 and a molecular weight of 272.13 g/mol. Its IUPAC name is N'-[2-[2-aminoethyl(iodo)amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-aminoethyl(iodo)amino]ethyl]ethane-1,2-diamine
PubChem CID138548509
Molecular FormulaC6H17IN4
Molecular Weight272.13 g/mol
Exact Mass272.05
IUPAC NameN'-[2-[2-aminoethyl(iodo)amino]ethyl]ethane-1,2-diamine
SMILESNCCNCCN(I)CCN
InChIInChI=1S/C6H17IN4/c7-11(5-2-9)6-4-10-3-1-8/h10H,1-6,8-9H2
InChIKeyBOVFWMGZPLSYBY-UHFFFAOYSA-N
XLogP-0.85
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

N'-[2-[2-aminoethyl-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 171053693
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-iodo-N'-(2-iodoethyl)ethane-1,2-diamine
CID 90401102
N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 59115025
N-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]nitrous amide
CID 87376084
N'-[2-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 146523021
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
N'-(2-aminoethyl)-N'-[2-(ethylamino)ethyl]ethane-1,2-diamine;N'-[2-(ethylamino)ethyl]ethane-1,2-diamine
CID 160516992
N'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine
CID 59825307
N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine
CID 162227177
bis(N'-(2-aminoethyl)ethane-1,2-diamine);antimony(5+);dysprosium(3+);tetrasulfide
CID 139196463

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-aminoethyl(iodo)amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-aminoethyl(iodo)amino]ethyl]ethane-1,2-diamine (CID 138548509) is N'-[2-[2-aminoethyl(iodo)amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-aminoethyl(iodo)amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-aminoethyl(iodo)amino]ethyl]ethane-1,2-diamine is NCCNCCN(I)CCN.
What is the InChIKey of N'-[2-[2-aminoethyl(iodo)amino]ethyl]ethane-1,2-diamine?
The InChIKey is BOVFWMGZPLSYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17IN4/c7-11(5-2-9)6-4-10-3-1-8/h10H,1-6,8-9H2.
What are the key properties of N'-[2-[2-aminoethyl(iodo)amino]ethyl]ethane-1,2-diamine?
N'-[2-[2-aminoethyl(iodo)amino]ethyl]ethane-1,2-diamine has a molecular weight of 272.13 g/mol, XLogP of -0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-aminoethyl(iodo)amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 138548509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).