[[3-(dimethylamino)propylamino]-(ethylamino)methyl] hypoiodite

C8H20IN3O — CID 170112682

IUPAC[[3-(dimethylamino)propylamino]-(ethylamino)methyl] hypoiodite
SMILESCCNC(NCCCN(C)C)OI
InChIInChI=1S/C8H20IN3O/c1-4-10-8(13-9)11-6-5-7-12(2)3/h8,10-11H,4-7H2,1-3H3
InChIKeyICRCEGGCCVJVTF-UHFFFAOYSA-N
MW301.17 g/mol
LogP0.79
Rot. Bonds8

About [[3-(dimethylamino)propylamino]-(ethylamino)methyl] hypoiodite

[[3-(dimethylamino)propylamino]-(ethylamino)methyl] hypoiodite (PubChem CID 170112682) has the molecular formula C8H20IN3O and a molecular weight of 301.17 g/mol. Its IUPAC name is [[3-(dimethylamino)propylamino]-(ethylamino)methyl] hypoiodite.

Molecular Properties

Compound Name[[3-(dimethylamino)propylamino]-(ethylamino)methyl] hypoiodite
PubChem CID170112682
Molecular FormulaC8H20IN3O
Molecular Weight301.17 g/mol
Exact Mass301.07
IUPAC Name[[3-(dimethylamino)propylamino]-(ethylamino)methyl] hypoiodite
SMILESCCNC(NCCCN(C)C)OI
InChIInChI=1S/C8H20IN3O/c1-4-10-8(13-9)11-6-5-7-12(2)3/h8,10-11H,4-7H2,1-3H3
InChIKeyICRCEGGCCVJVTF-UHFFFAOYSA-N
XLogP0.79
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[[3-(dimethylamino)propylamino]-(ethylamino)methyl] cyclooctanecarboxylate
CID 167155746
1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine
CID 57022854
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
3-(2-ethyl-2-methylhydrazinyl)-N,N-dimethylpropan-1-amine
CID 121428596
N',N'-dimethyl-N-pentan-3-ylheptane-1,7-diamine
CID 115712735
2-aminoethanol;2-(dimethylamino)ethanol;1-(ethylamino)ethanol
CID 88755673
N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 166889423
N-[3-(dimethylamino)propyl]-3-(ethylamino)butanamide
CID 62839311
3-[3-(dimethylamino)propylamino]pentanenitrile
CID 43368688
N',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine
CID 115705393
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N-(1-amino-2,2,2-trichloroethyl)-N',N'-dimethylpropane-1,3-diamine
CID 44790154

Frequently Asked Questions

What is the IUPAC name of [[3-(dimethylamino)propylamino]-(ethylamino)methyl] hypoiodite?
The IUPAC name of [[3-(dimethylamino)propylamino]-(ethylamino)methyl] hypoiodite (CID 170112682) is [[3-(dimethylamino)propylamino]-(ethylamino)methyl] hypoiodite.
What is the SMILES notation for [[3-(dimethylamino)propylamino]-(ethylamino)methyl] hypoiodite?
The canonical SMILES for [[3-(dimethylamino)propylamino]-(ethylamino)methyl] hypoiodite is CCNC(NCCCN(C)C)OI.
What is the InChIKey of [[3-(dimethylamino)propylamino]-(ethylamino)methyl] hypoiodite?
The InChIKey is ICRCEGGCCVJVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20IN3O/c1-4-10-8(13-9)11-6-5-7-12(2)3/h8,10-11H,4-7H2,1-3H3.
What are the key properties of [[3-(dimethylamino)propylamino]-(ethylamino)methyl] hypoiodite?
[[3-(dimethylamino)propylamino]-(ethylamino)methyl] hypoiodite has a molecular weight of 301.17 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(dimethylamino)propylamino]-(ethylamino)methyl] hypoiodite is sourced from PubChem (CID 170112682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).