[(Z)-2-amino-3-(dimethylamino)prop-2-enylidene]-dimethylazanium

C7H16N3+ — CID 88929219

IUPAC[(Z)-2-amino-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
SMILESCN(C)/C=C(\N)C=[N+](C)C
InChIInChI=1S/C7H16N3/c1-9(2)5-7(8)6-10(3)4/h5-6H,8H2,1-4H3/q+1
InChIKeyQALOELICFDBVKE-UHFFFAOYSA-N
MW142.23 g/mol
LogP-0.31
Rot. Bonds2

About [(Z)-2-amino-3-(dimethylamino)prop-2-enylidene]-dimethylazanium

[(Z)-2-amino-3-(dimethylamino)prop-2-enylidene]-dimethylazanium (PubChem CID 88929219) has the molecular formula C7H16N3+ and a molecular weight of 142.23 g/mol. Its IUPAC name is [(Z)-2-amino-3-(dimethylamino)prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-2-amino-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
PubChem CID88929219
Molecular FormulaC7H16N3+
Molecular Weight142.23 g/mol
Exact Mass142.13
IUPAC Name[(Z)-2-amino-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
SMILESCN(C)/C=C(\N)C=[N+](C)C
InChIInChI=1S/C7H16N3/c1-9(2)5-7(8)6-10(3)4/h5-6H,8H2,1-4H3/q+1
InChIKeyQALOELICFDBVKE-UHFFFAOYSA-N
XLogP-0.31
TPSA32.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-amino-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
The IUPAC name of [(Z)-2-amino-3-(dimethylamino)prop-2-enylidene]-dimethylazanium (CID 88929219) is [(Z)-2-amino-3-(dimethylamino)prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(Z)-2-amino-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(Z)-2-amino-3-(dimethylamino)prop-2-enylidene]-dimethylazanium is CN(C)/C=C(\N)C=[N+](C)C.
What is the InChIKey of [(Z)-2-amino-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
The InChIKey is QALOELICFDBVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N3/c1-9(2)5-7(8)6-10(3)4/h5-6H,8H2,1-4H3/q+1.
What are the key properties of [(Z)-2-amino-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
[(Z)-2-amino-3-(dimethylamino)prop-2-enylidene]-dimethylazanium has a molecular weight of 142.23 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-amino-3-(dimethylamino)prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 88929219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).