2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide

C13H21N3O — CID 76915509

IUPAC2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N(CC)Cc1ccccc1
InChIInChI=1S/C13H21N3O/c1-3-12(13(14)15-17)16(4-2)10-11-8-6-5-7-9-11/h5-9,12,17H,3-4,10H2,1-2H3,(H2,14,15)
InChIKeyOIDLPJPUIIEQCU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.03
Rot. Bonds6

About 2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide

2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide (PubChem CID 76915509) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide
PubChem CID76915509
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N(CC)Cc1ccccc1
InChIInChI=1S/C13H21N3O/c1-3-12(13(14)15-17)16(4-2)10-11-8-6-5-7-9-11/h5-9,12,17H,3-4,10H2,1-2H3,(H2,14,15)
InChIKeyOIDLPJPUIIEQCU-UHFFFAOYSA-N
XLogP2.03
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.03
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

3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide
CID 43175067
(2R)-2-(dibenzylamino)butanoic acid
CID 141083038
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76915276
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
2-[benzyl(ethyl)amino]-3-methylbutanamide
CID 82041322
2-(dipropylamino)-N'-hydroxybutanimidamide
CID 76915523
N'-hydroxy-2-[(3-methoxyphenyl)methyl-methylamino]butanimidamide
CID 76915706
3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
(2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol
CID 58894379
3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 64538076
4-[2-[benzyl(ethyl)amino]propyl]aniline
CID 82255967

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide (CID 76915509) is 2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide is CCC(C(N)=NO)N(CC)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is OIDLPJPUIIEQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-12(13(14)15-17)16(4-2)10-11-8-6-5-7-9-11/h5-9,12,17H,3-4,10H2,1-2H3,(H2,14,15).
What are the key properties of 2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide?
2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 235.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 76915509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).