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

C11H25N3O2 — CID 79380233

IUPAC3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)N(CC)CC(C)(C)O
InChIInChI=1S/C11H25N3O2/c1-5-9(7-10(12)13-16)14(6-2)8-11(3,4)15/h9,15-16H,5-8H2,1-4H3,(H2,12,13)
InChIKeySQHYVOLYJAPMLF-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.99
Rot. Bonds7

About 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide

3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide (PubChem CID 79380233) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide
PubChem CID79380233
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)N(CC)CC(C)(C)O
InChIInChI=1S/C11H25N3O2/c1-5-9(7-10(12)13-16)14(6-2)8-11(3,4)15/h9,15-16H,5-8H2,1-4H3,(H2,12,13)
InChIKeySQHYVOLYJAPMLF-UHFFFAOYSA-N
XLogP0.99
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide (CID 79380233) is 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)N(CC)CC(C)(C)O.
What is the InChIKey of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is SQHYVOLYJAPMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-5-9(7-10(12)13-16)14(6-2)8-11(3,4)15/h9,15-16H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide?
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 231.34 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 79380233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).