[dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium;hydrogen sulfate

C10H23N3O4S — CID 175264091

IUPAC[dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium;hydrogen sulfate
SMILESC=CCN(CC)C(N(C)C)=[N+](C)C.O=S(=O)([O-])O
InChIInChI=1S/C10H22N3.H2O4S/c1-7-9-13(8-2)10(11(3)4)12(5)6;1-5(2,3)4/h7H,1,8-9H2,2-6H3;(H2,1,2,3,4)/q+1;/p-1
InChIKeyYPYXVBFFPWLTCW-UHFFFAOYSA-M
MW281.38 g/mol
LogP-0.31
Rot. Bonds3

About [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium;hydrogen sulfate

[dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium;hydrogen sulfate (PubChem CID 175264091) has the molecular formula C10H23N3O4S and a molecular weight of 281.38 g/mol. Its IUPAC name is [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium;hydrogen sulfate.

Molecular Properties

Compound Name[dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium;hydrogen sulfate
PubChem CID175264091
Molecular FormulaC10H23N3O4S
Molecular Weight281.38 g/mol
Exact Mass281.14
IUPAC Name[dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium;hydrogen sulfate
SMILESC=CCN(CC)C(N(C)C)=[N+](C)C.O=S(=O)([O-])O
InChIInChI=1S/C10H22N3.H2O4S/c1-7-9-13(8-2)10(11(3)4)12(5)6;1-5(2,3)4/h7H,1,8-9H2,2-6H3;(H2,1,2,3,4)/q+1;/p-1
InChIKeyYPYXVBFFPWLTCW-UHFFFAOYSA-M
XLogP-0.31
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

[[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium
CID 102167943
2,2-dichloro-N-ethyl-N-prop-2-enylacetamide
CID 21403921
methanesulfonic acid;N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 89483061
(2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide
CID 81425726
4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499014
1-ethyl-3-methyl-1-prop-2-enylurea
CID 115597941
N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide
CID 107033486
2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide
CID 114329005
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-N-ethyl-N-prop-2-enylacetamide
CID 166930748
3-tert-butyl-1-ethyl-1-prop-2-enylurea
CID 115695087
N-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid
CID 88674834
2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide
CID 81489014

Frequently Asked Questions

What is the IUPAC name of [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium;hydrogen sulfate?
The IUPAC name of [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium;hydrogen sulfate (CID 175264091) is [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium;hydrogen sulfate.
What is the SMILES notation for [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium;hydrogen sulfate?
The canonical SMILES for [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium;hydrogen sulfate is C=CCN(CC)C(N(C)C)=[N+](C)C.O=S(=O)([O-])O.
What is the InChIKey of [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium;hydrogen sulfate?
The InChIKey is YPYXVBFFPWLTCW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22N3.H2O4S/c1-7-9-13(8-2)10(11(3)4)12(5)6;1-5(2,3)4/h7H,1,8-9H2,2-6H3;(H2,1,2,3,4)/q+1;/p-1.
What are the key properties of [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium;hydrogen sulfate?
[dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium;hydrogen sulfate has a molecular weight of 281.38 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium;hydrogen sulfate is sourced from PubChem (CID 175264091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).