[butylamino(methylamino)methylidene]-dimethylazanium

C8H20N3+ — CID 102337415

IUPAC[butylamino(methylamino)methylidene]-dimethylazanium
SMILESCCCCNC(NC)=[N+](C)C
InChIInChI=1S/C8H19N3/c1-5-6-7-10-8(9-2)11(3)4/h5-7H2,1-4H3,(H,9,10)/p+1
InChIKeySCZIXZSLQNCXPR-UHFFFAOYSA-O
MW158.27 g/mol
LogP0.22
Rot. Bonds3

About [butylamino(methylamino)methylidene]-dimethylazanium

[butylamino(methylamino)methylidene]-dimethylazanium (PubChem CID 102337415) has the molecular formula C8H20N3+ and a molecular weight of 158.27 g/mol. Its IUPAC name is [butylamino(methylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[butylamino(methylamino)methylidene]-dimethylazanium
PubChem CID102337415
Molecular FormulaC8H20N3+
Molecular Weight158.27 g/mol
Exact Mass158.17
IUPAC Name[butylamino(methylamino)methylidene]-dimethylazanium
SMILESCCCCNC(NC)=[N+](C)C
InChIInChI=1S/C8H19N3/c1-5-6-7-10-8(9-2)11(3)4/h5-7H2,1-4H3,(H,9,10)/p+1
InChIKeySCZIXZSLQNCXPR-UHFFFAOYSA-O
XLogP0.22
TPSA27.07 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
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 [butylamino(methylamino)methylidene]-dimethylazanium?
The IUPAC name of [butylamino(methylamino)methylidene]-dimethylazanium (CID 102337415) is [butylamino(methylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [butylamino(methylamino)methylidene]-dimethylazanium?
The canonical SMILES for [butylamino(methylamino)methylidene]-dimethylazanium is CCCCNC(NC)=[N+](C)C.
What is the InChIKey of [butylamino(methylamino)methylidene]-dimethylazanium?
The InChIKey is SCZIXZSLQNCXPR-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19N3/c1-5-6-7-10-8(9-2)11(3)4/h5-7H2,1-4H3,(H,9,10)/p+1.
What are the key properties of [butylamino(methylamino)methylidene]-dimethylazanium?
[butylamino(methylamino)methylidene]-dimethylazanium has a molecular weight of 158.27 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [butylamino(methylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 102337415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).