N'-[(5S)-5-amino-7-oxooctyl]ethanimidamide

C10H21N3O — CID 54238237

IUPACN'-[(5S)-5-amino-7-oxooctyl]ethanimidamide
SMILESCC(=O)C[C@@H](N)CCCC/N=C(\C)N
InChIInChI=1S/C10H21N3O/c1-8(14)7-10(12)5-3-4-6-13-9(2)11/h10H,3-7,12H2,1-2H3,(H2,11,13)/t10-/m0/s1
InChIKeyQOCLJRBAGAIBHT-JTQLQIEISA-N
MW199.30 g/mol
LogP0.84
Rot. Bonds7

About N'-[(5S)-5-amino-7-oxooctyl]ethanimidamide

N'-[(5S)-5-amino-7-oxooctyl]ethanimidamide (PubChem CID 54238237) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-[(5S)-5-amino-7-oxooctyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(5S)-5-amino-7-oxooctyl]ethanimidamide
PubChem CID54238237
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN'-[(5S)-5-amino-7-oxooctyl]ethanimidamide
SMILESCC(=O)C[C@@H](N)CCCC/N=C(\C)N
InChIInChI=1S/C10H21N3O/c1-8(14)7-10(12)5-3-4-6-13-9(2)11/h10H,3-7,12H2,1-2H3,(H2,11,13)/t10-/m0/s1
InChIKeyQOCLJRBAGAIBHT-JTQLQIEISA-N
XLogP0.84
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[(5S)-5-amino-7-oxooctyl]ethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(5S)-5-amino-7-oxooctyl]ethanimidamide?
The IUPAC name of N'-[(5S)-5-amino-7-oxooctyl]ethanimidamide (CID 54238237) is N'-[(5S)-5-amino-7-oxooctyl]ethanimidamide.
What is the SMILES notation for N'-[(5S)-5-amino-7-oxooctyl]ethanimidamide?
The canonical SMILES for N'-[(5S)-5-amino-7-oxooctyl]ethanimidamide is CC(=O)C[C@@H](N)CCCC/N=C(\C)N.
What is the InChIKey of N'-[(5S)-5-amino-7-oxooctyl]ethanimidamide?
The InChIKey is QOCLJRBAGAIBHT-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(14)7-10(12)5-3-4-6-13-9(2)11/h10H,3-7,12H2,1-2H3,(H2,11,13)/t10-/m0/s1.
What are the key properties of N'-[(5S)-5-amino-7-oxooctyl]ethanimidamide?
N'-[(5S)-5-amino-7-oxooctyl]ethanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5S)-5-amino-7-oxooctyl]ethanimidamide is sourced from PubChem (CID 54238237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).