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

C10H23N3O2 — CID 79379358

IUPAC3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybutanimidamide
SMILESCCN(CC(C)(C)O)C(C)CC(N)=NO
InChIInChI=1S/C10H23N3O2/c1-5-13(7-10(3,4)14)8(2)6-9(11)12-15/h8,14-15H,5-7H2,1-4H3,(H2,11,12)
InChIKeyDKKISXNVYUNXRJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.60
Rot. Bonds6

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

3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybutanimidamide (PubChem CID 79379358) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybutanimidamide
PubChem CID79379358
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybutanimidamide
SMILESCCN(CC(C)(C)O)C(C)CC(N)=NO
InChIInChI=1S/C10H23N3O2/c1-5-13(7-10(3,4)14)8(2)6-9(11)12-15/h8,14-15H,5-7H2,1-4H3,(H2,11,12)
InChIKeyDKKISXNVYUNXRJ-UHFFFAOYSA-N
XLogP0.60
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.60
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'-hydroxybutanimidamide?
The IUPAC name of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybutanimidamide (CID 79379358) is 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybutanimidamide is CCN(CC(C)(C)O)C(C)CC(N)=NO.
What is the InChIKey of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is DKKISXNVYUNXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-5-13(7-10(3,4)14)8(2)6-9(11)12-15/h8,14-15H,5-7H2,1-4H3,(H2,11,12).
What are the key properties of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybutanimidamide?
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.60, 6 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'-hydroxybutanimidamide is sourced from PubChem (CID 79379358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).