1-aminoprop-2-enylidene(dimethyl)azanium chloride

C5H11ClN2 — CID 88546271

IUPAC1-aminoprop-2-enylidene(dimethyl)azanium chloride
SMILESC=CC(N)=[N+](C)C.[Cl-]
InChIInChI=1S/C5H10N2.ClH/c1-4-5(6)7(2)3;/h4,6H,1H2,2-3H3;1H
InChIKeySUEGIEAIDLIFJQ-UHFFFAOYSA-N
MW134.61 g/mol
LogP-3.19
Rot. Bonds1

About 1-aminoprop-2-enylidene(dimethyl)azanium chloride

1-aminoprop-2-enylidene(dimethyl)azanium chloride (PubChem CID 88546271) has the molecular formula C5H11ClN2 and a molecular weight of 134.61 g/mol. Its IUPAC name is 1-aminoprop-2-enylidene(dimethyl)azanium chloride.

Molecular Properties

Compound Name1-aminoprop-2-enylidene(dimethyl)azanium chloride
PubChem CID88546271
Molecular FormulaC5H11ClN2
Molecular Weight134.61 g/mol
Exact Mass134.06
IUPAC Name1-aminoprop-2-enylidene(dimethyl)azanium chloride
SMILESC=CC(N)=[N+](C)C.[Cl-]
InChIInChI=1S/C5H10N2.ClH/c1-4-5(6)7(2)3;/h4,6H,1H2,2-3H3;1H
InChIKeySUEGIEAIDLIFJQ-UHFFFAOYSA-N
XLogP-3.19
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 5-3.19
H-Bond Donors ≤ 51
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-aminoprop-2-enylidene(dimethyl)azanium chloride?
The IUPAC name of 1-aminoprop-2-enylidene(dimethyl)azanium chloride (CID 88546271) is 1-aminoprop-2-enylidene(dimethyl)azanium chloride.
What is the SMILES notation for 1-aminoprop-2-enylidene(dimethyl)azanium chloride?
The canonical SMILES for 1-aminoprop-2-enylidene(dimethyl)azanium chloride is C=CC(N)=[N+](C)C.[Cl-].
What is the InChIKey of 1-aminoprop-2-enylidene(dimethyl)azanium chloride?
The InChIKey is SUEGIEAIDLIFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.ClH/c1-4-5(6)7(2)3;/h4,6H,1H2,2-3H3;1H.
What are the key properties of 1-aminoprop-2-enylidene(dimethyl)azanium chloride?
1-aminoprop-2-enylidene(dimethyl)azanium chloride has a molecular weight of 134.61 g/mol, XLogP of -3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoprop-2-enylidene(dimethyl)azanium chloride is sourced from PubChem (CID 88546271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).