1-N'-iodo-1-N,1-N,1-N'-trimethylethane-1,1-diamine

C5H13IN2 — CID 154940046

IUPAC1-N'-iodo-1-N,1-N,1-N'-trimethylethane-1,1-diamine
SMILESCC(N(C)C)N(C)I
InChIInChI=1S/C5H13IN2/c1-5(7(2)3)8(4)6/h5H,1-4H3
InChIKeyIHHIXXXINNPYAX-UHFFFAOYSA-N
MW228.08 g/mol
LogP1.18
Rot. Bonds2

About 1-N'-iodo-1-N,1-N,1-N'-trimethylethane-1,1-diamine

1-N'-iodo-1-N,1-N,1-N'-trimethylethane-1,1-diamine (PubChem CID 154940046) has the molecular formula C5H13IN2 and a molecular weight of 228.08 g/mol. Its IUPAC name is 1-N'-iodo-1-N,1-N,1-N'-trimethylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-iodo-1-N,1-N,1-N'-trimethylethane-1,1-diamine
PubChem CID154940046
Molecular FormulaC5H13IN2
Molecular Weight228.08 g/mol
Exact Mass228.01
IUPAC Name1-N'-iodo-1-N,1-N,1-N'-trimethylethane-1,1-diamine
SMILESCC(N(C)C)N(C)I
InChIInChI=1S/C5H13IN2/c1-5(7(2)3)8(4)6/h5H,1-4H3
InChIKeyIHHIXXXINNPYAX-UHFFFAOYSA-N
XLogP1.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N',1-N'-bis[1-(dimethylamino)ethyl]-1-N,1-N-dimethylethane-1,1-diamine
CID 22572098
1-[amino(methyl)amino]-N,N-dimethylethanamine
CID 155062112
N,N-dimethylpropan-2-amine;ethane
CID 143195472
2-N,2-N,3-N,3-N-tetramethylbutane-2,3-diamine;hydrochloride
CID 175121214
(1S)-1-(dimethylamino)ethanol
CID 93477761
(1R)-1-(dimethylamino)ethanol
CID 93477762
3-[iodo(methyl)amino]but-1-ene-2-thiol
CID 135244143
tris(1-(dimethylamino)ethanolate);dysprosium(3+)
CID 173350884
N-iodo-N-methylhydroxylamine
CID 59260427
(E)-N,N-dimethylpent-3-en-2-amine;hydrochloride
CID 155225928
1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine
CID 175405090
1-[1-hydroxyethyl(methyl)amino]ethanol;hydrate
CID 173435253

Frequently Asked Questions

What is the IUPAC name of 1-N'-iodo-1-N,1-N,1-N'-trimethylethane-1,1-diamine?
The IUPAC name of 1-N'-iodo-1-N,1-N,1-N'-trimethylethane-1,1-diamine (CID 154940046) is 1-N'-iodo-1-N,1-N,1-N'-trimethylethane-1,1-diamine.
What is the SMILES notation for 1-N'-iodo-1-N,1-N,1-N'-trimethylethane-1,1-diamine?
The canonical SMILES for 1-N'-iodo-1-N,1-N,1-N'-trimethylethane-1,1-diamine is CC(N(C)C)N(C)I.
What is the InChIKey of 1-N'-iodo-1-N,1-N,1-N'-trimethylethane-1,1-diamine?
The InChIKey is IHHIXXXINNPYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13IN2/c1-5(7(2)3)8(4)6/h5H,1-4H3.
What are the key properties of 1-N'-iodo-1-N,1-N,1-N'-trimethylethane-1,1-diamine?
1-N'-iodo-1-N,1-N,1-N'-trimethylethane-1,1-diamine has a molecular weight of 228.08 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-iodo-1-N,1-N,1-N'-trimethylethane-1,1-diamine is sourced from PubChem (CID 154940046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).