3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide

C12H19N3O — CID 76949093

IUPAC3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
SMILESCCN(C)C(CC(N)=NO)c1ccccc1
InChIInChI=1S/C12H19N3O/c1-3-15(2)11(9-12(13)14-16)10-7-5-4-6-8-10/h4-8,11,16H,3,9H2,1-2H3,(H2,13,14)
InChIKeyJJGSCRBWYWTWNR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.82
Rot. Bonds5

About 3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide

3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide (PubChem CID 76949093) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
PubChem CID76949093
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
SMILESCCN(C)C(CC(N)=NO)c1ccccc1
InChIInChI=1S/C12H19N3O/c1-3-15(2)11(9-12(13)14-16)10-7-5-4-6-8-10/h4-8,11,16H,3,9H2,1-2H3,(H2,13,14)
InChIKeyJJGSCRBWYWTWNR-UHFFFAOYSA-N
XLogP1.82
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide
CID 76949179
N'-hydroxy-3-[methyl(pentan-3-yl)amino]-3-phenylpropanimidamide
CID 76949064
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 81055642
N'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide
CID 77104932
N'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide
CID 76949048
3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949207
N'-hydroxy-3-phenyl-3-propoxypropanimidamide
CID 115001465
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylbenzamide
CID 76987704
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
3-(benzhydrylamino)-N'-hydroxybutanimidamide
CID 77028150
3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide
CID 62779626
3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide
CID 43175067

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide?
The IUPAC name of 3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide (CID 76949093) is 3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide.
What is the SMILES notation for 3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide?
The canonical SMILES for 3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide is CCN(C)C(CC(N)=NO)c1ccccc1.
What is the InChIKey of 3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide?
The InChIKey is JJGSCRBWYWTWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-15(2)11(9-12(13)14-16)10-7-5-4-6-8-10/h4-8,11,16H,3,9H2,1-2H3,(H2,13,14).
What are the key properties of 3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide?
3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide has a molecular weight of 221.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide is sourced from PubChem (CID 76949093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).