1-(dimethylamino)butylidene-dimethylazanium

C8H19N2+ — CID 23311444

IUPAC1-(dimethylamino)butylidene-dimethylazanium
SMILESCCCC(N(C)C)=[N+](C)C
InChIInChI=1S/C8H19N2/c1-6-7-8(9(2)3)10(4)5/h6-7H2,1-5H3/q+1
InChIKeyJQRHGLUUZMQNGG-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.02
Rot. Bonds2

About 1-(dimethylamino)butylidene-dimethylazanium

1-(dimethylamino)butylidene-dimethylazanium (PubChem CID 23311444) has the molecular formula C8H19N2+ and a molecular weight of 143.25 g/mol. Its IUPAC name is 1-(dimethylamino)butylidene-dimethylazanium.

Molecular Properties

Compound Name1-(dimethylamino)butylidene-dimethylazanium
PubChem CID23311444
Molecular FormulaC8H19N2+
Molecular Weight143.25 g/mol
Exact Mass143.15
IUPAC Name1-(dimethylamino)butylidene-dimethylazanium
SMILESCCCC(N(C)C)=[N+](C)C
InChIInChI=1S/C8H19N2/c1-6-7-8(9(2)3)10(4)5/h6-7H2,1-5H3/q+1
InChIKeyJQRHGLUUZMQNGG-UHFFFAOYSA-N
XLogP1.02
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.02
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 1-(dimethylamino)butylidene-dimethylazanium?
The IUPAC name of 1-(dimethylamino)butylidene-dimethylazanium (CID 23311444) is 1-(dimethylamino)butylidene-dimethylazanium.
What is the SMILES notation for 1-(dimethylamino)butylidene-dimethylazanium?
The canonical SMILES for 1-(dimethylamino)butylidene-dimethylazanium is CCCC(N(C)C)=[N+](C)C.
What is the InChIKey of 1-(dimethylamino)butylidene-dimethylazanium?
The InChIKey is JQRHGLUUZMQNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2/c1-6-7-8(9(2)3)10(4)5/h6-7H2,1-5H3/q+1.
What are the key properties of 1-(dimethylamino)butylidene-dimethylazanium?
1-(dimethylamino)butylidene-dimethylazanium has a molecular weight of 143.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)butylidene-dimethylazanium is sourced from PubChem (CID 23311444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).