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

C11H25N3O2 — CID 77056279

IUPAC3-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NCC(O)(CC)CC
InChIInChI=1S/C11H25N3O2/c1-4-9(7-10(12)14-16)13-8-11(15,5-2)6-3/h9,13,15-16H,4-8H2,1-3H3,(H2,12,14)
InChIKeyJYEOKCXPAUUMIN-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.04
Rot. Bonds8

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

3-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide (PubChem CID 77056279) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide
PubChem CID77056279
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name3-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NCC(O)(CC)CC
InChIInChI=1S/C11H25N3O2/c1-4-9(7-10(12)14-16)13-8-11(15,5-2)6-3/h9,13,15-16H,4-8H2,1-3H3,(H2,12,14)
InChIKeyJYEOKCXPAUUMIN-UHFFFAOYSA-N
XLogP1.04
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.04
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 3-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide (CID 77056279) is 3-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NCC(O)(CC)CC.
What is the InChIKey of 3-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is JYEOKCXPAUUMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-4-9(7-10(12)14-16)13-8-11(15,5-2)6-3/h9,13,15-16H,4-8H2,1-3H3,(H2,12,14).
What are the key properties of 3-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide?
3-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 231.34 g/mol, XLogP of 1.04, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77056279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).