[dimethylamino-[hexyl(methyl)amino]methylidene]-dimethylazanium

C12H28N3+ — CID 13128004

IUPAC[dimethylamino-[hexyl(methyl)amino]methylidene]-dimethylazanium
SMILESCCCCCCN(C)C(N(C)C)=[N+](C)C
InChIInChI=1S/C12H28N3/c1-7-8-9-10-11-15(6)12(13(2)3)14(4)5/h7-11H2,1-6H3/q+1
InChIKeyHNGFNBHSGQACGP-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.69
Rot. Bonds5

About [dimethylamino-[hexyl(methyl)amino]methylidene]-dimethylazanium

[dimethylamino-[hexyl(methyl)amino]methylidene]-dimethylazanium (PubChem CID 13128004) has the molecular formula C12H28N3+ and a molecular weight of 214.38 g/mol. Its IUPAC name is [dimethylamino-[hexyl(methyl)amino]methylidene]-dimethylazanium.

Molecular Properties

Compound Name[dimethylamino-[hexyl(methyl)amino]methylidene]-dimethylazanium
PubChem CID13128004
Molecular FormulaC12H28N3+
Molecular Weight214.38 g/mol
Exact Mass214.23
IUPAC Name[dimethylamino-[hexyl(methyl)amino]methylidene]-dimethylazanium
SMILESCCCCCCN(C)C(N(C)C)=[N+](C)C
InChIInChI=1S/C12H28N3/c1-7-8-9-10-11-15(6)12(13(2)3)14(4)5/h7-11H2,1-6H3/q+1
InChIKeyHNGFNBHSGQACGP-UHFFFAOYSA-N
XLogP1.69
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [dimethylamino-[hexyl(methyl)amino]methylidene]-dimethylazanium?
The IUPAC name of [dimethylamino-[hexyl(methyl)amino]methylidene]-dimethylazanium (CID 13128004) is [dimethylamino-[hexyl(methyl)amino]methylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino-[hexyl(methyl)amino]methylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino-[hexyl(methyl)amino]methylidene]-dimethylazanium is CCCCCCN(C)C(N(C)C)=[N+](C)C.
What is the InChIKey of [dimethylamino-[hexyl(methyl)amino]methylidene]-dimethylazanium?
The InChIKey is HNGFNBHSGQACGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N3/c1-7-8-9-10-11-15(6)12(13(2)3)14(4)5/h7-11H2,1-6H3/q+1.
What are the key properties of [dimethylamino-[hexyl(methyl)amino]methylidene]-dimethylazanium?
[dimethylamino-[hexyl(methyl)amino]methylidene]-dimethylazanium has a molecular weight of 214.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-[hexyl(methyl)amino]methylidene]-dimethylazanium is sourced from PubChem (CID 13128004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).