N-ethyl-1-(4-methanimidoylphenyl)ethenamine

C11H14N2 — CID 142184056

IUPACN-ethyl-1-(4-methanimidoylphenyl)ethenamine
SMILES[H]/N=C/c1ccc(C(=C)NCC)cc1
InChIInChI=1S/C11H14N2/c1-3-13-9(2)11-6-4-10(8-12)5-7-11/h4-8,12-13H,2-3H2,1H3/b12-8+
InChIKeyXOECESDSSZWYGX-XYOKQWHBSA-N
MW174.25 g/mol
LogP2.26
Rot. Bonds4

About N-ethyl-1-(4-methanimidoylphenyl)ethenamine

N-ethyl-1-(4-methanimidoylphenyl)ethenamine (PubChem CID 142184056) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is N-ethyl-1-(4-methanimidoylphenyl)ethenamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methanimidoylphenyl)ethenamine
PubChem CID142184056
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC NameN-ethyl-1-(4-methanimidoylphenyl)ethenamine
SMILES[H]/N=C/c1ccc(C(=C)NCC)cc1
InChIInChI=1S/C11H14N2/c1-3-13-9(2)11-6-4-10(8-12)5-7-11/h4-8,12-13H,2-3H2,1H3/b12-8+
InChIKeyXOECESDSSZWYGX-XYOKQWHBSA-N
XLogP2.26
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine
CID 143048491
N-ethyl-1-(4-ethylphenyl)ethenamine
CID 89105478
4-methanimidoyl-N-[2-(methylamino)ethyl]benzamide
CID 144842874
methyl 4-(4-methanimidoylphenyl)benzoate
CID 142312095
ethane;(E)-N-ethyl-2-[4-[1-(ethylamino)ethenyl]phenyl]-N-methylprop-1-en-1-amine
CID 178020123
1-(4-methanimidoylphenyl)-2-methylpropan-1-one
CID 155200840
4-methanimidoylphenol
CID 135768597
(6-prop-1-en-2-yl-3-pyridinyl)methanimine
CID 130359150
1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine
CID 143048599
ethyl 2-(4-methanimidoylphenyl)acetate
CID 86679361
(4-propan-2-ylphenyl)methanimine
CID 22483394
2-amino-3-(4-methanimidoylphenyl)propanoic acid
CID 143283846

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methanimidoylphenyl)ethenamine?
The IUPAC name of N-ethyl-1-(4-methanimidoylphenyl)ethenamine (CID 142184056) is N-ethyl-1-(4-methanimidoylphenyl)ethenamine.
What is the SMILES notation for N-ethyl-1-(4-methanimidoylphenyl)ethenamine?
The canonical SMILES for N-ethyl-1-(4-methanimidoylphenyl)ethenamine is [H]/N=C/c1ccc(C(=C)NCC)cc1.
What is the InChIKey of N-ethyl-1-(4-methanimidoylphenyl)ethenamine?
The InChIKey is XOECESDSSZWYGX-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-13-9(2)11-6-4-10(8-12)5-7-11/h4-8,12-13H,2-3H2,1H3/b12-8+.
What are the key properties of N-ethyl-1-(4-methanimidoylphenyl)ethenamine?
N-ethyl-1-(4-methanimidoylphenyl)ethenamine has a molecular weight of 174.25 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methanimidoylphenyl)ethenamine is sourced from PubChem (CID 142184056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).