[1-(dimethylamino)-6,6-dimethylnonylidene]sulfamic acid

C13H28N2O3S — CID 174098827

IUPAC[1-(dimethylamino)-6,6-dimethylnonylidene]sulfamic acid
SMILESCCCC(C)(C)CCCCC(=NS(=O)(=O)O)N(C)C
InChIInChI=1S/C13H28N2O3S/c1-6-10-13(2,3)11-8-7-9-12(15(4)5)14-19(16,17)18/h6-11H2,1-5H3,(H,16,17,18)
InChIKeyXCHJLUZYYHMTMW-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.14
Rot. Bonds8

About [1-(dimethylamino)-6,6-dimethylnonylidene]sulfamic acid

[1-(dimethylamino)-6,6-dimethylnonylidene]sulfamic acid (PubChem CID 174098827) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is [1-(dimethylamino)-6,6-dimethylnonylidene]sulfamic acid.

Molecular Properties

Compound Name[1-(dimethylamino)-6,6-dimethylnonylidene]sulfamic acid
PubChem CID174098827
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name[1-(dimethylamino)-6,6-dimethylnonylidene]sulfamic acid
SMILESCCCC(C)(C)CCCCC(=NS(=O)(=O)O)N(C)C
InChIInChI=1S/C13H28N2O3S/c1-6-10-13(2,3)11-8-7-9-12(15(4)5)14-19(16,17)18/h6-11H2,1-5H3,(H,16,17,18)
InChIKeyXCHJLUZYYHMTMW-UHFFFAOYSA-N
XLogP3.14
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-N'-sulfamoylhexanimidamide
CID 126717465
N,6,6-trimethylnonan-1-amine
CID 118650446
2,2,7,7-tetramethyldecane
CID 57491596
6,6-dimethylnonylphosphane
CID 58051418
7,7-dimethyltridecan-2-one
CID 19931393
4,4-dimethyldecyl hydrogen sulfate
CID 134206518
decan-1-ol;8,8-dimethylundecan-1-ol
CID 162145912
diethyl 4,4-dimethylnonanedioate
CID 71397840
2,2-dimethylpentane-1-sulfinic acid
CID 91240429
8,8-dimethylundec-2-ene
CID 123615624
16,16,21,21-tetramethylhexatriacontane
CID 174880889
4-(dimethylamino)hexadecane-4-sulfonic acid
CID 118305932

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-6,6-dimethylnonylidene]sulfamic acid?
The IUPAC name of [1-(dimethylamino)-6,6-dimethylnonylidene]sulfamic acid (CID 174098827) is [1-(dimethylamino)-6,6-dimethylnonylidene]sulfamic acid.
What is the SMILES notation for [1-(dimethylamino)-6,6-dimethylnonylidene]sulfamic acid?
The canonical SMILES for [1-(dimethylamino)-6,6-dimethylnonylidene]sulfamic acid is CCCC(C)(C)CCCCC(=NS(=O)(=O)O)N(C)C.
What is the InChIKey of [1-(dimethylamino)-6,6-dimethylnonylidene]sulfamic acid?
The InChIKey is XCHJLUZYYHMTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-6-10-13(2,3)11-8-7-9-12(15(4)5)14-19(16,17)18/h6-11H2,1-5H3,(H,16,17,18).
What are the key properties of [1-(dimethylamino)-6,6-dimethylnonylidene]sulfamic acid?
[1-(dimethylamino)-6,6-dimethylnonylidene]sulfamic acid has a molecular weight of 292.44 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-6,6-dimethylnonylidene]sulfamic acid is sourced from PubChem (CID 174098827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).