2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide

C10H23N3O2 — CID 77056293

IUPAC2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide
SMILESCCC(NCC(O)(CC)CC)C(N)=NO
InChIInChI=1S/C10H23N3O2/c1-4-8(9(11)13-15)12-7-10(14,5-2)6-3/h8,12,14-15H,4-7H2,1-3H3,(H2,11,13)
InChIKeyYVACMXHDMCIRPE-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.65
Rot. Bonds7

About 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide

2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide (PubChem CID 77056293) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide
PubChem CID77056293
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide
SMILESCCC(NCC(O)(CC)CC)C(N)=NO
InChIInChI=1S/C10H23N3O2/c1-4-8(9(11)13-15)12-7-10(14,5-2)6-3/h8,12,14-15H,4-7H2,1-3H3,(H2,11,13)
InChIKeyYVACMXHDMCIRPE-UHFFFAOYSA-N
XLogP0.65
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.65
H-Bond Donors ≤ 54
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 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide (CID 77056293) is 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide is CCC(NCC(O)(CC)CC)C(N)=NO.
What is the InChIKey of 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is YVACMXHDMCIRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-4-8(9(11)13-15)12-7-10(14,5-2)6-3/h8,12,14-15H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide?
2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.65, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77056293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).