N'-[2-[ethyl(methyl)amino]ethyl]-N-phenylethanimidamide

C13H21N3 — CID 146385564

IUPACN'-[2-[ethyl(methyl)amino]ethyl]-N-phenylethanimidamide
SMILESCCN(C)CC/N=C(\C)Nc1ccccc1
InChIInChI=1S/C13H21N3/c1-4-16(3)11-10-14-12(2)15-13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3,(H,14,15)
InChIKeyIFKXKGJXVHICIX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.47
Rot. Bonds5

About N'-[2-[ethyl(methyl)amino]ethyl]-N-phenylethanimidamide

N'-[2-[ethyl(methyl)amino]ethyl]-N-phenylethanimidamide (PubChem CID 146385564) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N'-[2-[ethyl(methyl)amino]ethyl]-N-phenylethanimidamide.

Molecular Properties

Compound NameN'-[2-[ethyl(methyl)amino]ethyl]-N-phenylethanimidamide
PubChem CID146385564
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN'-[2-[ethyl(methyl)amino]ethyl]-N-phenylethanimidamide
SMILESCCN(C)CC/N=C(\C)Nc1ccccc1
InChIInChI=1S/C13H21N3/c1-4-16(3)11-10-14-12(2)15-13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3,(H,14,15)
InChIKeyIFKXKGJXVHICIX-UHFFFAOYSA-N
XLogP2.47
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine
CID 110925630
1-(3,5-dimethylphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine
CID 111085735
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111172208
N'-[2-[bis[2-[[anilino(phenyl)methylidene]amino]ethyl]amino]ethyl]-N-phenylbenzenecarboximidamide
CID 102109940
2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine
CID 111078721
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111085772
N'-[2-[ethyl(methyl)amino]ethyl]-N-(2-hydroxyphenyl)methanimidamide
CID 143592117
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110916967
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111883044
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946687
1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine
CID 116515292

Frequently Asked Questions

What is the IUPAC name of N'-[2-[ethyl(methyl)amino]ethyl]-N-phenylethanimidamide?
The IUPAC name of N'-[2-[ethyl(methyl)amino]ethyl]-N-phenylethanimidamide (CID 146385564) is N'-[2-[ethyl(methyl)amino]ethyl]-N-phenylethanimidamide.
What is the SMILES notation for N'-[2-[ethyl(methyl)amino]ethyl]-N-phenylethanimidamide?
The canonical SMILES for N'-[2-[ethyl(methyl)amino]ethyl]-N-phenylethanimidamide is CCN(C)CC/N=C(\C)Nc1ccccc1.
What is the InChIKey of N'-[2-[ethyl(methyl)amino]ethyl]-N-phenylethanimidamide?
The InChIKey is IFKXKGJXVHICIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-4-16(3)11-10-14-12(2)15-13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3,(H,14,15).
What are the key properties of N'-[2-[ethyl(methyl)amino]ethyl]-N-phenylethanimidamide?
N'-[2-[ethyl(methyl)amino]ethyl]-N-phenylethanimidamide has a molecular weight of 219.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[ethyl(methyl)amino]ethyl]-N-phenylethanimidamide is sourced from PubChem (CID 146385564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).