1-(dimethylamino)propylidene-dimethylazanium

C7H17N2+ — CID 12574600

IUPAC1-(dimethylamino)propylidene-dimethylazanium
SMILESCCC(N(C)C)=[N+](C)C
InChIInChI=1S/C7H17N2/c1-6-7(8(2)3)9(4)5/h6H2,1-5H3/q+1
InChIKeyOURCWWCUVWPBLO-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.63
Rot. Bonds1

About 1-(dimethylamino)propylidene-dimethylazanium

1-(dimethylamino)propylidene-dimethylazanium (PubChem CID 12574600) has the molecular formula C7H17N2+ and a molecular weight of 129.23 g/mol. Its IUPAC name is 1-(dimethylamino)propylidene-dimethylazanium.

Molecular Properties

Compound Name1-(dimethylamino)propylidene-dimethylazanium
PubChem CID12574600
Molecular FormulaC7H17N2+
Molecular Weight129.23 g/mol
Exact Mass129.14
IUPAC Name1-(dimethylamino)propylidene-dimethylazanium
SMILESCCC(N(C)C)=[N+](C)C
InChIInChI=1S/C7H17N2/c1-6-7(8(2)3)9(4)5/h6H2,1-5H3/q+1
InChIKeyOURCWWCUVWPBLO-UHFFFAOYSA-N
XLogP0.63
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.63
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)propylidene-dimethylazanium?
The IUPAC name of 1-(dimethylamino)propylidene-dimethylazanium (CID 12574600) is 1-(dimethylamino)propylidene-dimethylazanium.
What is the SMILES notation for 1-(dimethylamino)propylidene-dimethylazanium?
The canonical SMILES for 1-(dimethylamino)propylidene-dimethylazanium is CCC(N(C)C)=[N+](C)C.
What is the InChIKey of 1-(dimethylamino)propylidene-dimethylazanium?
The InChIKey is OURCWWCUVWPBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2/c1-6-7(8(2)3)9(4)5/h6H2,1-5H3/q+1.
What are the key properties of 1-(dimethylamino)propylidene-dimethylazanium?
1-(dimethylamino)propylidene-dimethylazanium has a molecular weight of 129.23 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)propylidene-dimethylazanium is sourced from PubChem (CID 12574600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).