[[bis(5-hydroxypentyl)amino]-(dimethylamino)methylidene]-dimethylazanium

C15H34N3O2+ — CID 102233310

IUPAC[[bis(5-hydroxypentyl)amino]-(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(N(CCCCCO)CCCCCO)=[N+](C)C
InChIInChI=1S/C15H34N3O2/c1-16(2)15(17(3)4)18(11-7-5-9-13-19)12-8-6-10-14-20/h19-20H,5-14H2,1-4H3/q+1
InChIKeyLNPGFYRDTSZACT-UHFFFAOYSA-N
MW288.46 g/mol
LogP0.80
Rot. Bonds10

About [[bis(5-hydroxypentyl)amino]-(dimethylamino)methylidene]-dimethylazanium

[[bis(5-hydroxypentyl)amino]-(dimethylamino)methylidene]-dimethylazanium (PubChem CID 102233310) has the molecular formula C15H34N3O2+ and a molecular weight of 288.46 g/mol. Its IUPAC name is [[bis(5-hydroxypentyl)amino]-(dimethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[[bis(5-hydroxypentyl)amino]-(dimethylamino)methylidene]-dimethylazanium
PubChem CID102233310
Molecular FormulaC15H34N3O2+
Molecular Weight288.46 g/mol
Exact Mass288.26
IUPAC Name[[bis(5-hydroxypentyl)amino]-(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(N(CCCCCO)CCCCCO)=[N+](C)C
InChIInChI=1S/C15H34N3O2/c1-16(2)15(17(3)4)18(11-7-5-9-13-19)12-8-6-10-14-20/h19-20H,5-14H2,1-4H3/q+1
InChIKeyLNPGFYRDTSZACT-UHFFFAOYSA-N
XLogP0.80
TPSA49.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 50.80
H-Bond Donors ≤ 52
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[dimethylamino-(dioctylamino)methylidene]-dimethylazanium
CID 13127883
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
[[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium
CID 102167943
5-[tert-butyl(methyl)amino]pentan-1-ol
CID 23381575
4-[methyl(octyl)amino]butan-1-ol
CID 87238675
5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol
CID 107207379
5-hydroxypentyl(methyl)carbamic acid
CID 90197062
5-hydroxypentyl(methyl)cyanamide
CID 107199507
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994

Frequently Asked Questions

What is the IUPAC name of [[bis(5-hydroxypentyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of [[bis(5-hydroxypentyl)amino]-(dimethylamino)methylidene]-dimethylazanium (CID 102233310) is [[bis(5-hydroxypentyl)amino]-(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [[bis(5-hydroxypentyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [[bis(5-hydroxypentyl)amino]-(dimethylamino)methylidene]-dimethylazanium is CN(C)C(N(CCCCCO)CCCCCO)=[N+](C)C.
What is the InChIKey of [[bis(5-hydroxypentyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is LNPGFYRDTSZACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N3O2/c1-16(2)15(17(3)4)18(11-7-5-9-13-19)12-8-6-10-14-20/h19-20H,5-14H2,1-4H3/q+1.
What are the key properties of [[bis(5-hydroxypentyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
[[bis(5-hydroxypentyl)amino]-(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 288.46 g/mol, XLogP of 0.80, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[bis(5-hydroxypentyl)amino]-(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 102233310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).