5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide

C11H25N3O2 — CID 77056303

IUPAC5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(O)(CC)CNCCCCC(N)=NO
InChIInChI=1S/C11H25N3O2/c1-3-11(15,4-2)9-13-8-6-5-7-10(12)14-16/h13,15-16H,3-9H2,1-2H3,(H2,12,14)
InChIKeyNCJYCGRCFFOXLX-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.04
Rot. Bonds9

About 5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide

5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide (PubChem CID 77056303) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide
PubChem CID77056303
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(O)(CC)CNCCCCC(N)=NO
InChIInChI=1S/C11H25N3O2/c1-3-11(15,4-2)9-13-8-6-5-7-10(12)14-16/h13,15-16H,3-9H2,1-2H3,(H2,12,14)
InChIKeyNCJYCGRCFFOXLX-UHFFFAOYSA-N
XLogP1.04
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
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': '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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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide (CID 77056303) is 5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide is CCC(O)(CC)CNCCCCC(N)=NO.
What is the InChIKey of 5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is NCJYCGRCFFOXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-3-11(15,4-2)9-13-8-6-5-7-10(12)14-16/h13,15-16H,3-9H2,1-2H3,(H2,12,14).
What are the key properties of 5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide?
5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 231.34 g/mol, XLogP of 1.04, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77056303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).