3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide

C14H23N3O — CID 43175067

IUPAC3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N(CC)Cc1ccccc1
InChIInChI=1S/C14H23N3O/c1-3-13(10-14(15)16-18)17(4-2)11-12-8-6-5-7-9-12/h5-9,13,18H,3-4,10-11H2,1-2H3,(H2,15,16)
InChIKeyDAGGHJWNQKGGQI-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.42
Rot. Bonds7

About 3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide

3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide (PubChem CID 43175067) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide
PubChem CID43175067
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N(CC)Cc1ccccc1
InChIInChI=1S/C14H23N3O/c1-3-13(10-14(15)16-18)17(4-2)11-12-8-6-5-7-9-12/h5-9,13,18H,3-4,10-11H2,1-2H3,(H2,15,16)
InChIKeyDAGGHJWNQKGGQI-UHFFFAOYSA-N
XLogP2.42
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.42
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'}

Analyze 3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl(ethyl)amino]-N'-hydroxybutanimidamide
CID 76915509
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
N'-hydroxy-3-[methyl(pentan-3-yl)amino]-3-phenylpropanimidamide
CID 76949064
2-N-benzyl-2-N-ethylpentane-1,2-diamine
CID 43126066
N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide
CID 43528245
N'-hydroxy-2-phenylethanimidamide
CID 6074309
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
2-[benzyl(ethyl)amino]-3-methylbutanamide
CID 82041322
(2R)-2-(dibenzylamino)butanoic acid
CID 141083038
4-[[ethyl(pentan-3-yl)amino]methyl]benzoic acid
CID 122034478
N'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide
CID 77038150
N-benzyl-N-(2-bromoethyl)pentan-3-amine
CID 80680386

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide (CID 43175067) is 3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)N(CC)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is DAGGHJWNQKGGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-13(10-14(15)16-18)17(4-2)11-12-8-6-5-7-9-12/h5-9,13,18H,3-4,10-11H2,1-2H3,(H2,15,16).
What are the key properties of 3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide?
3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 249.36 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 43175067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).