N'-[(5S)-5-amino-6,7,8-trihydroxyoctyl]ethanimidamide

C10H23N3O3 — CID 20638021

IUPACN'-[(5S)-5-amino-6,7,8-trihydroxyoctyl]ethanimidamide
SMILESC/C(N)=N\CCCC[C@H](N)C(O)C(O)CO
InChIInChI=1S/C10H23N3O3/c1-7(11)13-5-3-2-4-8(12)10(16)9(15)6-14/h8-10,14-16H,2-6,12H2,1H3,(H2,11,13)/t8-,9?,10?/m0/s1
InChIKeyAYBFPMZFKCAYDH-IDKOKCKLSA-N
MW233.31 g/mol
LogP-1.42
Rot. Bonds8

About N'-[(5S)-5-amino-6,7,8-trihydroxyoctyl]ethanimidamide

N'-[(5S)-5-amino-6,7,8-trihydroxyoctyl]ethanimidamide (PubChem CID 20638021) has the molecular formula C10H23N3O3 and a molecular weight of 233.31 g/mol. Its IUPAC name is N'-[(5S)-5-amino-6,7,8-trihydroxyoctyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(5S)-5-amino-6,7,8-trihydroxyoctyl]ethanimidamide
PubChem CID20638021
Molecular FormulaC10H23N3O3
Molecular Weight233.31 g/mol
Exact Mass233.17
IUPAC NameN'-[(5S)-5-amino-6,7,8-trihydroxyoctyl]ethanimidamide
SMILESC/C(N)=N\CCCC[C@H](N)C(O)C(O)CO
InChIInChI=1S/C10H23N3O3/c1-7(11)13-5-3-2-4-8(12)10(16)9(15)6-14/h8-10,14-16H,2-6,12H2,1H3,(H2,11,13)/t8-,9?,10?/m0/s1
InChIKeyAYBFPMZFKCAYDH-IDKOKCKLSA-N
XLogP-1.42
TPSA125.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-1.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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-6,7,8-trihydroxyoctyl]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-6,7,8-trihydroxyoctyl]ethanimidamide?
The IUPAC name of N'-[(5S)-5-amino-6,7,8-trihydroxyoctyl]ethanimidamide (CID 20638021) is N'-[(5S)-5-amino-6,7,8-trihydroxyoctyl]ethanimidamide.
What is the SMILES notation for N'-[(5S)-5-amino-6,7,8-trihydroxyoctyl]ethanimidamide?
The canonical SMILES for N'-[(5S)-5-amino-6,7,8-trihydroxyoctyl]ethanimidamide is C/C(N)=N\CCCC[C@H](N)C(O)C(O)CO.
What is the InChIKey of N'-[(5S)-5-amino-6,7,8-trihydroxyoctyl]ethanimidamide?
The InChIKey is AYBFPMZFKCAYDH-IDKOKCKLSA-N. The full InChI is InChI=1S/C10H23N3O3/c1-7(11)13-5-3-2-4-8(12)10(16)9(15)6-14/h8-10,14-16H,2-6,12H2,1H3,(H2,11,13)/t8-,9?,10?/m0/s1.
What are the key properties of N'-[(5S)-5-amino-6,7,8-trihydroxyoctyl]ethanimidamide?
N'-[(5S)-5-amino-6,7,8-trihydroxyoctyl]ethanimidamide has a molecular weight of 233.31 g/mol, XLogP of -1.42, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5S)-5-amino-6,7,8-trihydroxyoctyl]ethanimidamide is sourced from PubChem (CID 20638021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).