5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide

C11H25N3O2 — CID 79376535

IUPAC5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide
SMILESCCN(CCCCC(N)=NO)CC(C)(C)O
InChIInChI=1S/C11H25N3O2/c1-4-14(9-11(2,3)15)8-6-5-7-10(12)13-16/h15-16H,4-9H2,1-3H3,(H2,12,13)
InChIKeyQTOBBSBYWOOJMU-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.00
Rot. Bonds8

About 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide

5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide (PubChem CID 79376535) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide
PubChem CID79376535
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide
SMILESCCN(CCCCC(N)=NO)CC(C)(C)O
InChIInChI=1S/C11H25N3O2/c1-4-14(9-11(2,3)15)8-6-5-7-10(12)13-16/h15-16H,4-9H2,1-3H3,(H2,12,13)
InChIKeyQTOBBSBYWOOJMU-UHFFFAOYSA-N
XLogP1.00
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[ethyl-(2-hydroxy-2-methylpropyl)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

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide (CID 79376535) is 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide is CCN(CCCCC(N)=NO)CC(C)(C)O.
What is the InChIKey of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is QTOBBSBYWOOJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-4-14(9-11(2,3)15)8-6-5-7-10(12)13-16/h15-16H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide?
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 231.34 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 79376535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).