[methyl-[3-(2-methylpentan-2-yloxy)propyl]amino] hypoiodite

C10H22INO2 — CID 155468015

IUPAC[methyl-[3-(2-methylpentan-2-yloxy)propyl]amino] hypoiodite
SMILESCCCC(C)(C)OCCCN(C)OI
InChIInChI=1S/C10H22INO2/c1-5-7-10(2,3)13-9-6-8-12(4)14-11/h5-9H2,1-4H3
InChIKeyBWDOCMYKJQQTAL-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.19
Rot. Bonds8

About [methyl-[3-(2-methylpentan-2-yloxy)propyl]amino] hypoiodite

[methyl-[3-(2-methylpentan-2-yloxy)propyl]amino] hypoiodite (PubChem CID 155468015) has the molecular formula C10H22INO2 and a molecular weight of 315.20 g/mol. Its IUPAC name is [methyl-[3-(2-methylpentan-2-yloxy)propyl]amino] hypoiodite.

Molecular Properties

Compound Name[methyl-[3-(2-methylpentan-2-yloxy)propyl]amino] hypoiodite
PubChem CID155468015
Molecular FormulaC10H22INO2
Molecular Weight315.20 g/mol
Exact Mass315.07
IUPAC Name[methyl-[3-(2-methylpentan-2-yloxy)propyl]amino] hypoiodite
SMILESCCCC(C)(C)OCCCN(C)OI
InChIInChI=1S/C10H22INO2/c1-5-7-10(2,3)13-9-6-8-12(4)14-11/h5-9H2,1-4H3
InChIKeyBWDOCMYKJQQTAL-UHFFFAOYSA-N
XLogP3.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.19
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(2-methylpentan-2-yloxy)-N-propoxypropan-1-amine
CID 155085385
2-(3-butoxy-3-methylbutoxy)-2-methylpentane
CID 130387675
1-[5-[3-(dimethylamino)propoxy]-2,5-dimethylhexan-2-yl]oxy-N,N-dimethylpropan-2-amine
CID 175628361
2-dodecoxy-2-methyltetradecane
CID 158074564
2-methyl-2-propoxyhexane
CID 91043348
N-methyl-2-(2-methylpentan-2-yloxy)ethanamine
CID 144977046
7-butoxy-1-chloro-7-methyloctane
CID 166130931
4-methyl-4-[3-methyl-3-(3-sulfanylpropoxy)butoxy]pentane-1-thiol
CID 87919803
3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine
CID 155135764
4-(2-methylhexan-2-yloxy)butanal
CID 87079599
2-methyl-2-(2-methylpentan-2-ylperoxy)pentane
CID 10910592
1,10-bis(2-methylbutan-2-yloxy)decane
CID 171725385

Frequently Asked Questions

What is the IUPAC name of [methyl-[3-(2-methylpentan-2-yloxy)propyl]amino] hypoiodite?
The IUPAC name of [methyl-[3-(2-methylpentan-2-yloxy)propyl]amino] hypoiodite (CID 155468015) is [methyl-[3-(2-methylpentan-2-yloxy)propyl]amino] hypoiodite.
What is the SMILES notation for [methyl-[3-(2-methylpentan-2-yloxy)propyl]amino] hypoiodite?
The canonical SMILES for [methyl-[3-(2-methylpentan-2-yloxy)propyl]amino] hypoiodite is CCCC(C)(C)OCCCN(C)OI.
What is the InChIKey of [methyl-[3-(2-methylpentan-2-yloxy)propyl]amino] hypoiodite?
The InChIKey is BWDOCMYKJQQTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22INO2/c1-5-7-10(2,3)13-9-6-8-12(4)14-11/h5-9H2,1-4H3.
What are the key properties of [methyl-[3-(2-methylpentan-2-yloxy)propyl]amino] hypoiodite?
[methyl-[3-(2-methylpentan-2-yloxy)propyl]amino] hypoiodite has a molecular weight of 315.20 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[3-(2-methylpentan-2-yloxy)propyl]amino] hypoiodite is sourced from PubChem (CID 155468015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).