bis(diethylamino)methylidene-dibutylazanium

C17H38N3+ — CID 13127894

IUPACbis(diethylamino)methylidene-dibutylazanium
SMILESCCCC[N+](CCCC)=C(N(CC)CC)N(CC)CC
InChIInChI=1S/C17H38N3/c1-7-13-15-20(16-14-8-2)17(18(9-3)10-4)19(11-5)12-6/h7-16H2,1-6H3/q+1
InChIKeyNXAKLIIVEQIHTH-UHFFFAOYSA-N
MW284.51 g/mol
LogP3.64
Rot. Bonds10

About bis(diethylamino)methylidene-dibutylazanium

bis(diethylamino)methylidene-dibutylazanium (PubChem CID 13127894) has the molecular formula C17H38N3+ and a molecular weight of 284.51 g/mol. Its IUPAC name is bis(diethylamino)methylidene-dibutylazanium.

Molecular Properties

Compound Namebis(diethylamino)methylidene-dibutylazanium
PubChem CID13127894
Molecular FormulaC17H38N3+
Molecular Weight284.51 g/mol
Exact Mass284.31
IUPAC Namebis(diethylamino)methylidene-dibutylazanium
SMILESCCCC[N+](CCCC)=C(N(CC)CC)N(CC)CC
InChIInChI=1S/C17H38N3/c1-7-13-15-20(16-14-8-2)17(18(9-3)10-4)19(11-5)12-6/h7-16H2,1-6H3/q+1
InChIKeyNXAKLIIVEQIHTH-UHFFFAOYSA-N
XLogP3.64
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 bis(diethylamino)methylidene-dibutylazanium?
The IUPAC name of bis(diethylamino)methylidene-dibutylazanium (CID 13127894) is bis(diethylamino)methylidene-dibutylazanium.
What is the SMILES notation for bis(diethylamino)methylidene-dibutylazanium?
The canonical SMILES for bis(diethylamino)methylidene-dibutylazanium is CCCC[N+](CCCC)=C(N(CC)CC)N(CC)CC.
What is the InChIKey of bis(diethylamino)methylidene-dibutylazanium?
The InChIKey is NXAKLIIVEQIHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N3/c1-7-13-15-20(16-14-8-2)17(18(9-3)10-4)19(11-5)12-6/h7-16H2,1-6H3/q+1.
What are the key properties of bis(diethylamino)methylidene-dibutylazanium?
bis(diethylamino)methylidene-dibutylazanium has a molecular weight of 284.51 g/mol, XLogP of 3.64, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethylamino)methylidene-dibutylazanium is sourced from PubChem (CID 13127894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).