[dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium

C10H22N3+ — CID 175264092

IUPAC[dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium
SMILESC=CCN(CC)C(N(C)C)=[N+](C)C
InChIInChI=1S/C10H22N3/c1-7-9-13(8-2)10(11(3)4)12(5)6/h7H,1,8-9H2,2-6H3/q+1
InChIKeySGZWUFVJUQHKLV-UHFFFAOYSA-N
MW184.31 g/mol
LogP0.68
Rot. Bonds3

About [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium

[dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium (PubChem CID 175264092) has the molecular formula C10H22N3+ and a molecular weight of 184.31 g/mol. Its IUPAC name is [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium.

Molecular Properties

Compound Name[dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium
PubChem CID175264092
Molecular FormulaC10H22N3+
Molecular Weight184.31 g/mol
Exact Mass184.18
IUPAC Name[dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium
SMILESC=CCN(CC)C(N(C)C)=[N+](C)C
InChIInChI=1S/C10H22N3/c1-7-9-13(8-2)10(11(3)4)12(5)6/h7H,1,8-9H2,2-6H3/q+1
InChIKeySGZWUFVJUQHKLV-UHFFFAOYSA-N
XLogP0.68
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 50.68
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium?
The IUPAC name of [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium (CID 175264092) is [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium is C=CCN(CC)C(N(C)C)=[N+](C)C.
What is the InChIKey of [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium?
The InChIKey is SGZWUFVJUQHKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N3/c1-7-9-13(8-2)10(11(3)4)12(5)6/h7H,1,8-9H2,2-6H3/q+1.
What are the key properties of [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium?
[dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium has a molecular weight of 184.31 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium is sourced from PubChem (CID 175264092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).