bis(dibutylamino)methylidene-dimethylazanium

C19H42N3+ — CID 12061393

IUPACbis(dibutylamino)methylidene-dimethylazanium
SMILESCCCCN(CCCC)C(N(CCCC)CCCC)=[N+](C)C
InChIInChI=1S/C19H42N3/c1-7-11-15-21(16-12-8-2)19(20(5)6)22(17-13-9-3)18-14-10-4/h7-18H2,1-6H3/q+1
InChIKeySHVYOPNWVNDKLA-UHFFFAOYSA-N
MW312.57 g/mol
LogP4.42
Rot. Bonds12

About bis(dibutylamino)methylidene-dimethylazanium

bis(dibutylamino)methylidene-dimethylazanium (PubChem CID 12061393) has the molecular formula C19H42N3+ and a molecular weight of 312.57 g/mol. Its IUPAC name is bis(dibutylamino)methylidene-dimethylazanium.

Molecular Properties

Compound Namebis(dibutylamino)methylidene-dimethylazanium
PubChem CID12061393
Molecular FormulaC19H42N3+
Molecular Weight312.57 g/mol
Exact Mass312.34
IUPAC Namebis(dibutylamino)methylidene-dimethylazanium
SMILESCCCCN(CCCC)C(N(CCCC)CCCC)=[N+](C)C
InChIInChI=1S/C19H42N3/c1-7-11-15-21(16-12-8-2)19(20(5)6)22(17-13-9-3)18-14-10-4/h7-18H2,1-6H3/q+1
InChIKeySHVYOPNWVNDKLA-UHFFFAOYSA-N
XLogP4.42
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.57
LogP ≤ 54.42
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'}

Analyze bis(dibutylamino)methylidene-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(dibutylamino)methylidene-dimethylazanium?
The IUPAC name of bis(dibutylamino)methylidene-dimethylazanium (CID 12061393) is bis(dibutylamino)methylidene-dimethylazanium.
What is the SMILES notation for bis(dibutylamino)methylidene-dimethylazanium?
The canonical SMILES for bis(dibutylamino)methylidene-dimethylazanium is CCCCN(CCCC)C(N(CCCC)CCCC)=[N+](C)C.
What is the InChIKey of bis(dibutylamino)methylidene-dimethylazanium?
The InChIKey is SHVYOPNWVNDKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N3/c1-7-11-15-21(16-12-8-2)19(20(5)6)22(17-13-9-3)18-14-10-4/h7-18H2,1-6H3/q+1.
What are the key properties of bis(dibutylamino)methylidene-dimethylazanium?
bis(dibutylamino)methylidene-dimethylazanium has a molecular weight of 312.57 g/mol, XLogP of 4.42, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibutylamino)methylidene-dimethylazanium is sourced from PubChem (CID 12061393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).