N'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide

C10H22N4 — CID 144709725

IUPACN'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide
SMILESC/C(=C\N=C(/C)N)N(C)CCN(C)C
InChIInChI=1S/C10H22N4/c1-9(8-12-10(2)11)14(5)7-6-13(3)4/h8H,6-7H2,1-5H3,(H2,11,12)/b9-8+
InChIKeyQVMCGXJRQLJBKW-CMDGGOBGSA-N
MW198.31 g/mol
LogP0.72
Rot. Bonds5

About N'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide

N'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide (PubChem CID 144709725) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is N'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide
PubChem CID144709725
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC NameN'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide
SMILESC/C(=C\N=C(/C)N)N(C)CCN(C)C
InChIInChI=1S/C10H22N4/c1-9(8-12-10(2)11)14(5)7-6-13(3)4/h8H,6-7H2,1-5H3,(H2,11,12)/b9-8+
InChIKeyQVMCGXJRQLJBKW-CMDGGOBGSA-N
XLogP0.72
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.72
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'}

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Related Compounds

2-Amino-4,6-dimethylpyrazine
CID 54502378
N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide
CID 89383686
N-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide
CID 134268440
N'-[(Z)-3-(dimethylamino)-2-[2-(dimethylamino)ethylamino]prop-1-enyl]methanimidamide
CID 137516353
N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane
CID 142097633
ethane;N-ethyl-4,6-dimethyl-1,3-dihydropyrazin-2-imine
CID 142345217
1-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-2H-pyrazin-3-amine
CID 142817066
N'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide
CID 144709361
N'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide
CID 144709362
N'-[(E)-2-[butyl(methyl)amino]prop-1-enyl]ethanimidamide
CID 144709365
ethane;N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide
CID 145267739
2,3-dimethyl-4H-pyrimidin-5-amine
CID 149421949

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide?
The IUPAC name of N'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide (CID 144709725) is N'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide.
What is the SMILES notation for N'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide?
The canonical SMILES for N'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide is C/C(=C\N=C(/C)N)N(C)CCN(C)C.
What is the InChIKey of N'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide?
The InChIKey is QVMCGXJRQLJBKW-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H22N4/c1-9(8-12-10(2)11)14(5)7-6-13(3)4/h8H,6-7H2,1-5H3,(H2,11,12)/b9-8+.
What are the key properties of N'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide?
N'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide has a molecular weight of 198.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide is sourced from PubChem (CID 144709725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).