N'-[2-(diiodoamino)ethyl]-N'-methylethane-1,2-diamine

C5H13I2N3 — CID 145464641

IUPACN'-[2-(diiodoamino)ethyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)CCN(I)I
InChIInChI=1S/C5H13I2N3/c1-9(3-2-8)4-5-10(6)7/h2-5,8H2,1H3
InChIKeyOVZPYHUQPBURGS-UHFFFAOYSA-N
MW368.99 g/mol
LogP0.88
Rot. Bonds5

About N'-[2-(diiodoamino)ethyl]-N'-methylethane-1,2-diamine

N'-[2-(diiodoamino)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 145464641) has the molecular formula C5H13I2N3 and a molecular weight of 368.99 g/mol. Its IUPAC name is N'-[2-(diiodoamino)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(diiodoamino)ethyl]-N'-methylethane-1,2-diamine
PubChem CID145464641
Molecular FormulaC5H13I2N3
Molecular Weight368.99 g/mol
Exact Mass368.92
IUPAC NameN'-[2-(diiodoamino)ethyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)CCN(I)I
InChIInChI=1S/C5H13I2N3/c1-9(3-2-8)4-5-10(6)7/h2-5,8H2,1H3
InChIKeyOVZPYHUQPBURGS-UHFFFAOYSA-N
XLogP0.88
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.99
LogP ≤ 50.88
H-Bond Donors ≤ 51
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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Related Compounds

N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N'-methylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 23499637
ethane;N'-methyl-N'-propylethane-1,2-diamine
CID 164863386
N'-(3-fluoropropyl)-N'-methylethane-1,2-diamine
CID 81106784
N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine
CID 57004343
N'-but-3-ynyl-N'-methylethane-1,2-diamine
CID 62686258
N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine
CID 134394080
4-[2-aminoethyl(methyl)amino]butan-2-ol
CID 86811494
N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine
CID 167586856
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370
N'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine
CID 63190884
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-methylethane-1,2-diamine
CID 104561076
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diiodoamino)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(diiodoamino)ethyl]-N'-methylethane-1,2-diamine (CID 145464641) is N'-[2-(diiodoamino)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(diiodoamino)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(diiodoamino)ethyl]-N'-methylethane-1,2-diamine is CN(CCN)CCN(I)I.
What is the InChIKey of N'-[2-(diiodoamino)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is OVZPYHUQPBURGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13I2N3/c1-9(3-2-8)4-5-10(6)7/h2-5,8H2,1H3.
What are the key properties of N'-[2-(diiodoamino)ethyl]-N'-methylethane-1,2-diamine?
N'-[2-(diiodoamino)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 368.99 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diiodoamino)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 145464641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).