dimethyl(prop-2-ynyl)azanium chloride

C5H10ClN — CID 21243373

IUPACdimethyl(prop-2-ynyl)azanium chloride
SMILESC#CC[NH+](C)C.[Cl-]
InChIInChI=1S/C5H9N.ClH/c1-4-5-6(2)3;/h1H,5H2,2-3H3;1H
InChIKeyKQXJWXLSFIZTOT-UHFFFAOYSA-N
MW119.59 g/mol
LogP-4.23
Rot. Bonds1

About dimethyl(prop-2-ynyl)azanium chloride

dimethyl(prop-2-ynyl)azanium chloride (PubChem CID 21243373) has the molecular formula C5H10ClN and a molecular weight of 119.59 g/mol. Its IUPAC name is dimethyl(prop-2-ynyl)azanium chloride.

Molecular Properties

Compound Namedimethyl(prop-2-ynyl)azanium chloride
PubChem CID21243373
Molecular FormulaC5H10ClN
Molecular Weight119.59 g/mol
Exact Mass119.05
IUPAC Namedimethyl(prop-2-ynyl)azanium chloride
SMILESC#CC[NH+](C)C.[Cl-]
InChIInChI=1S/C5H9N.ClH/c1-4-5-6(2)3;/h1H,5H2,2-3H3;1H
InChIKeyKQXJWXLSFIZTOT-UHFFFAOYSA-N
XLogP-4.23
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.59
LogP ≤ 5-4.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dimethyl(prop-2-ynyl)azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl(prop-2-ynyl)azanium bromide
CID 162176145
methyl-prop-2-ynyl-(2-pyridin-4-ylprop-2-enyl)azanium
CID 118987999
methyl-prop-2-ynyl-(3-sulfopropyl)azanium
CID 163969201
methyl-[(2R)-1-phenylpropan-2-yl]-prop-2-ynylazanium
CID 25058167
but-1-yne;hydrochloride
CID 172711742
[2-(4-bromoanilino)-2-oxoethyl]-methyl-prop-2-ynylazanium chloride
CID 43834439
(7-hydroxy-2,3-dihydro-1H-inden-1-yl)-methyl-prop-2-ynylazanium chloride
CID 10922573
but-1-yne;ruthenium;hydrochloride
CID 160987878
2-benzylprop-2-enyl-methyl-prop-2-ynylazanium
CID 144859393
methyl-(4-phenylpent-4-enyl)-prop-2-ynylazanium
CID 118987995
butane;but-1-yne;propane
CID 155749259
4-methylidenedodec-1-yne
CID 57132185

Frequently Asked Questions

What is the IUPAC name of dimethyl(prop-2-ynyl)azanium chloride?
The IUPAC name of dimethyl(prop-2-ynyl)azanium chloride (CID 21243373) is dimethyl(prop-2-ynyl)azanium chloride.
What is the SMILES notation for dimethyl(prop-2-ynyl)azanium chloride?
The canonical SMILES for dimethyl(prop-2-ynyl)azanium chloride is C#CC[NH+](C)C.[Cl-].
What is the InChIKey of dimethyl(prop-2-ynyl)azanium chloride?
The InChIKey is KQXJWXLSFIZTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.ClH/c1-4-5-6(2)3;/h1H,5H2,2-3H3;1H.
What are the key properties of dimethyl(prop-2-ynyl)azanium chloride?
dimethyl(prop-2-ynyl)azanium chloride has a molecular weight of 119.59 g/mol, XLogP of -4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(prop-2-ynyl)azanium chloride is sourced from PubChem (CID 21243373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).