[3-(dimethylamino)-3-methylbutyl] hypochlorite

C7H16ClNO — CID 134232920

IUPAC[3-(dimethylamino)-3-methylbutyl] hypochlorite
SMILESCN(C)C(C)(C)CCOCl
InChIInChI=1S/C7H16ClNO/c1-7(2,9(3)4)5-6-10-8/h5-6H2,1-4H3
InChIKeyVEAKOMDFSWWWBT-UHFFFAOYSA-N
MW165.66 g/mol
LogP1.89
Rot. Bonds4

About [3-(dimethylamino)-3-methylbutyl] hypochlorite

[3-(dimethylamino)-3-methylbutyl] hypochlorite (PubChem CID 134232920) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is [3-(dimethylamino)-3-methylbutyl] hypochlorite.

Molecular Properties

Compound Name[3-(dimethylamino)-3-methylbutyl] hypochlorite
PubChem CID134232920
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name[3-(dimethylamino)-3-methylbutyl] hypochlorite
SMILESCN(C)C(C)(C)CCOCl
InChIInChI=1S/C7H16ClNO/c1-7(2,9(3)4)5-6-10-8/h5-6H2,1-4H3
InChIKeyVEAKOMDFSWWWBT-UHFFFAOYSA-N
XLogP1.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-3-methylbutyl] hypochlorite?
The IUPAC name of [3-(dimethylamino)-3-methylbutyl] hypochlorite (CID 134232920) is [3-(dimethylamino)-3-methylbutyl] hypochlorite.
What is the SMILES notation for [3-(dimethylamino)-3-methylbutyl] hypochlorite?
The canonical SMILES for [3-(dimethylamino)-3-methylbutyl] hypochlorite is CN(C)C(C)(C)CCOCl.
What is the InChIKey of [3-(dimethylamino)-3-methylbutyl] hypochlorite?
The InChIKey is VEAKOMDFSWWWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO/c1-7(2,9(3)4)5-6-10-8/h5-6H2,1-4H3.
What are the key properties of [3-(dimethylamino)-3-methylbutyl] hypochlorite?
[3-(dimethylamino)-3-methylbutyl] hypochlorite has a molecular weight of 165.66 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-3-methylbutyl] hypochlorite is sourced from PubChem (CID 134232920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).