10,10-dimethylundecylazaniumylideneazanide

C13H28N2 — CID 162462665

IUPAC10,10-dimethylundecylazaniumylideneazanide
SMILESCC(C)(C)CCCCCCCCC[NH+]=[N-]
InChIInChI=1S/C13H28N2/c1-13(2,3)11-9-7-5-4-6-8-10-12-15-14/h15H,4-12H2,1-3H3
InChIKeyJPPGSNZWRJPYTF-UHFFFAOYSA-N
MW212.38 g/mol
LogP3.26
Rot. Bonds9

About 10,10-dimethylundecylazaniumylideneazanide

10,10-dimethylundecylazaniumylideneazanide (PubChem CID 162462665) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 10,10-dimethylundecylazaniumylideneazanide.

Molecular Properties

Compound Name10,10-dimethylundecylazaniumylideneazanide
PubChem CID162462665
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name10,10-dimethylundecylazaniumylideneazanide
SMILESCC(C)(C)CCCCCCCCC[NH+]=[N-]
InChIInChI=1S/C13H28N2/c1-13(2,3)11-9-7-5-4-6-8-10-12-15-14/h15H,4-12H2,1-3H3
InChIKeyJPPGSNZWRJPYTF-UHFFFAOYSA-N
XLogP3.26
TPSA36.27 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

calcium;6,6-dimethylheptanoate;8,8-dimethylnonanoate
CID 56844065
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CID 21225528
bis(7,7-dimethyloctanoate);manganese(2+)
CID 22315822
tetrakis(7,7-dimethyloctanoate);molybdenum(4+)
CID 161322125
azanium 19,19-dimethylicosanoate
CID 141464670
2,2,11,11-tetramethyldodecane-1,1-diol
CID 154245547
2,2,15,15-tetramethylhexadecane-1,1-diol
CID 139908955
azane;2,2-dimethylundecane
CID 172735807
9,9-dimethyldecane-1-thiol
CID 522495
1,1,1-trifluoro-20,20-dimethylhenicosane
CID 152547440
12,12-dimethyltridecan-1-amine
CID 87103604
18,18-dimethylnonadecan-1-amine
CID 53249240

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethylundecylazaniumylideneazanide?
The IUPAC name of 10,10-dimethylundecylazaniumylideneazanide (CID 162462665) is 10,10-dimethylundecylazaniumylideneazanide.
What is the SMILES notation for 10,10-dimethylundecylazaniumylideneazanide?
The canonical SMILES for 10,10-dimethylundecylazaniumylideneazanide is CC(C)(C)CCCCCCCCC[NH+]=[N-].
What is the InChIKey of 10,10-dimethylundecylazaniumylideneazanide?
The InChIKey is JPPGSNZWRJPYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-13(2,3)11-9-7-5-4-6-8-10-12-15-14/h15H,4-12H2,1-3H3.
What are the key properties of 10,10-dimethylundecylazaniumylideneazanide?
10,10-dimethylundecylazaniumylideneazanide has a molecular weight of 212.38 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethylundecylazaniumylideneazanide is sourced from PubChem (CID 162462665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).