4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide

C10H23N3O2 — CID 77056368

IUPAC4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide
SMILESCCC(O)(CC)CNCCCC(N)=NO
InChIInChI=1S/C10H23N3O2/c1-3-10(14,4-2)8-12-7-5-6-9(11)13-15/h12,14-15H,3-8H2,1-2H3,(H2,11,13)
InChIKeyVEZACGKYWQYERT-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.65
Rot. Bonds8

About 4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide

4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide (PubChem CID 77056368) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide
PubChem CID77056368
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide
SMILESCCC(O)(CC)CNCCCC(N)=NO
InChIInChI=1S/C10H23N3O2/c1-3-10(14,4-2)8-12-7-5-6-9(11)13-15/h12,14-15H,3-8H2,1-2H3,(H2,11,13)
InChIKeyVEZACGKYWQYERT-UHFFFAOYSA-N
XLogP0.65
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
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': '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'}

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Related Compounds

N'-hydroxy-4-(3-methylpentan-3-ylamino)butanimidamide
CID 106329372
4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid
CID 65111208
4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
CID 77029128
3-[(decylamino)methyl]pentan-3-ol
CID 65111652
3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol
CID 65111554
4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
N'-hydroxy-4-(3-methoxypropylamino)butanimidamide
CID 77027942
3-[(3-methylsulfonylpropylamino)methyl]pentan-3-ol
CID 65111392
N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide
CID 107317932
4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide
CID 106287042
N'-hydroxy-5-(2-methylbutan-2-ylamino)pentanimidamide
CID 77025525
4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide
CID 104876518

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide (CID 77056368) is 4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide is CCC(O)(CC)CNCCCC(N)=NO.
What is the InChIKey of 4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is VEZACGKYWQYERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-3-10(14,4-2)8-12-7-5-6-9(11)13-15/h12,14-15H,3-8H2,1-2H3,(H2,11,13).
What are the key properties of 4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide?
4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.65, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77056368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).