1-(dihexylamino)ethylidene-dihexylazanium

C26H55N2+ — CID 23311458

IUPAC1-(dihexylamino)ethylidene-dihexylazanium
SMILESCCCCCCN(CCCCCC)C(C)=[N+](CCCCCC)CCCCCC
InChIInChI=1S/C26H55N2/c1-6-10-14-18-22-27(23-19-15-11-7-2)26(5)28(24-20-16-12-8-3)25-21-17-13-9-4/h6-25H2,1-5H3/q+1
InChIKeyFOQBXMZUYCFUFX-UHFFFAOYSA-N
MW395.74 g/mol
LogP8.04
Rot. Bonds20

About 1-(dihexylamino)ethylidene-dihexylazanium

1-(dihexylamino)ethylidene-dihexylazanium (PubChem CID 23311458) has the molecular formula C26H55N2+ and a molecular weight of 395.74 g/mol. Its IUPAC name is 1-(dihexylamino)ethylidene-dihexylazanium.

Molecular Properties

Compound Name1-(dihexylamino)ethylidene-dihexylazanium
PubChem CID23311458
Molecular FormulaC26H55N2+
Molecular Weight395.74 g/mol
Exact Mass395.44
IUPAC Name1-(dihexylamino)ethylidene-dihexylazanium
SMILESCCCCCCN(CCCCCC)C(C)=[N+](CCCCCC)CCCCCC
InChIInChI=1S/C26H55N2/c1-6-10-14-18-22-27(23-19-15-11-7-2)26(5)28(24-20-16-12-8-3)25-21-17-13-9-4/h6-25H2,1-5H3/q+1
InChIKeyFOQBXMZUYCFUFX-UHFFFAOYSA-N
XLogP8.04
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.74
LogP ≤ 58.04
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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Related Compounds

bis(dibutylamino)methylidene-[6-[bis(dibutylamino)methylidene-butylazaniumyl]hexyl]-butylazanium
CID 11073029
N,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
N-butyl-N-heptylacetamide
CID 91713167
N,N,N',N'-tetrahexyloxamide
CID 6424911
N'-methyl-N,N-dioctylethanimidamide
CID 139776671
hexyl(octadecyl)carbamic acid
CID 87702094
CID 22164562
CID 22164562
[dimethylamino-(dioctylamino)methylidene]-dimethylazanium
CID 13127883
tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)
CID 139855060
molybdenum;octadecyl(octyl)carbamothioic O-acid
CID 175434115

Frequently Asked Questions

What is the IUPAC name of 1-(dihexylamino)ethylidene-dihexylazanium?
The IUPAC name of 1-(dihexylamino)ethylidene-dihexylazanium (CID 23311458) is 1-(dihexylamino)ethylidene-dihexylazanium.
What is the SMILES notation for 1-(dihexylamino)ethylidene-dihexylazanium?
The canonical SMILES for 1-(dihexylamino)ethylidene-dihexylazanium is CCCCCCN(CCCCCC)C(C)=[N+](CCCCCC)CCCCCC.
What is the InChIKey of 1-(dihexylamino)ethylidene-dihexylazanium?
The InChIKey is FOQBXMZUYCFUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55N2/c1-6-10-14-18-22-27(23-19-15-11-7-2)26(5)28(24-20-16-12-8-3)25-21-17-13-9-4/h6-25H2,1-5H3/q+1.
What are the key properties of 1-(dihexylamino)ethylidene-dihexylazanium?
1-(dihexylamino)ethylidene-dihexylazanium has a molecular weight of 395.74 g/mol, XLogP of 8.04, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dihexylamino)ethylidene-dihexylazanium is sourced from PubChem (CID 23311458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).