acetyl(trimethyl)azanium;N,N-dimethylprop-2-en-1-amine;bromide;hydrochloride

C10H24BrClN2O — CID 174830663

IUPACacetyl(trimethyl)azanium;N,N-dimethylprop-2-en-1-amine;bromide;hydrochloride
SMILESC=CCN(C)C.CC(=O)[N+](C)(C)C.Cl.[Br-]
InChIInChI=1S/C5H12NO.C5H11N.BrH.ClH/c1-5(7)6(2,3)4;1-4-5-6(2)3;;/h1-4H3;4H,1,5H2,2-3H3;2*1H/q+1;;;/p-1
InChIKeyQLWBDRFCRUKEPR-UHFFFAOYSA-M
MW303.67 g/mol
LogP-1.60
Rot. Bonds2

About acetyl(trimethyl)azanium;N,N-dimethylprop-2-en-1-amine;bromide;hydrochloride

acetyl(trimethyl)azanium;N,N-dimethylprop-2-en-1-amine;bromide;hydrochloride (PubChem CID 174830663) has the molecular formula C10H24BrClN2O and a molecular weight of 303.67 g/mol. Its IUPAC name is acetyl(trimethyl)azanium;N,N-dimethylprop-2-en-1-amine;bromide;hydrochloride.

Molecular Properties

Compound Nameacetyl(trimethyl)azanium;N,N-dimethylprop-2-en-1-amine;bromide;hydrochloride
PubChem CID174830663
Molecular FormulaC10H24BrClN2O
Molecular Weight303.67 g/mol
Exact Mass302.08
IUPAC Nameacetyl(trimethyl)azanium;N,N-dimethylprop-2-en-1-amine;bromide;hydrochloride
SMILESC=CCN(C)C.CC(=O)[N+](C)(C)C.Cl.[Br-]
InChIInChI=1S/C5H12NO.C5H11N.BrH.ClH/c1-5(7)6(2,3)4;1-4-5-6(2)3;;/h1-4H3;4H,1,5H2,2-3H3;2*1H/q+1;;;/p-1
InChIKeyQLWBDRFCRUKEPR-UHFFFAOYSA-M
XLogP-1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 5-1.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride
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azane;N,N-dimethylprop-2-en-1-amine
CID 87892299
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CID 87069649
N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride
CID 87364859
N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride
CID 174528085
N,N'-dimethyl-N,N'-bis(prop-2-enyl)oxamide
CID 71483404
methyl N-methyl-N-prop-2-enylcarbamate
CID 116657055
N-[2-(dimethylamino)ethyl]-2-methyl-N-prop-2-enylprop-2-enamide
CID 135128686
N-methyl-N',N'-bis(prop-2-enyl)propanehydrazide
CID 19835655
N-prop-2-enyl-N-(trifluoromethyl)acetamide;silane
CID 174452092

Frequently Asked Questions

What is the IUPAC name of acetyl(trimethyl)azanium;N,N-dimethylprop-2-en-1-amine;bromide;hydrochloride?
The IUPAC name of acetyl(trimethyl)azanium;N,N-dimethylprop-2-en-1-amine;bromide;hydrochloride (CID 174830663) is acetyl(trimethyl)azanium;N,N-dimethylprop-2-en-1-amine;bromide;hydrochloride.
What is the SMILES notation for acetyl(trimethyl)azanium;N,N-dimethylprop-2-en-1-amine;bromide;hydrochloride?
The canonical SMILES for acetyl(trimethyl)azanium;N,N-dimethylprop-2-en-1-amine;bromide;hydrochloride is C=CCN(C)C.CC(=O)[N+](C)(C)C.Cl.[Br-].
What is the InChIKey of acetyl(trimethyl)azanium;N,N-dimethylprop-2-en-1-amine;bromide;hydrochloride?
The InChIKey is QLWBDRFCRUKEPR-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12NO.C5H11N.BrH.ClH/c1-5(7)6(2,3)4;1-4-5-6(2)3;;/h1-4H3;4H,1,5H2,2-3H3;2*1H/q+1;;;/p-1.
What are the key properties of acetyl(trimethyl)azanium;N,N-dimethylprop-2-en-1-amine;bromide;hydrochloride?
acetyl(trimethyl)azanium;N,N-dimethylprop-2-en-1-amine;bromide;hydrochloride has a molecular weight of 303.67 g/mol, XLogP of -1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(trimethyl)azanium;N,N-dimethylprop-2-en-1-amine;bromide;hydrochloride is sourced from PubChem (CID 174830663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).