N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]pentanimidamide

C11H23N3O2 — CID 77027760

IUPACN'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NC(C)C1CCCO1
InChIInChI=1S/C11H23N3O2/c1-3-9(7-11(12)14-15)13-8(2)10-5-4-6-16-10/h8-10,13,15H,3-7H2,1-2H3,(H2,12,14)
InChIKeyKWEGZLMVZGUITO-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.06
Rot. Bonds6

About N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]pentanimidamide

N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]pentanimidamide (PubChem CID 77027760) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]pentanimidamide
PubChem CID77027760
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NC(C)C1CCCO1
InChIInChI=1S/C11H23N3O2/c1-3-9(7-11(12)14-15)13-8(2)10-5-4-6-16-10/h8-10,13,15H,3-7H2,1-2H3,(H2,12,14)
InChIKeyKWEGZLMVZGUITO-UHFFFAOYSA-N
XLogP1.06
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.06
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 N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]pentanimidamide (CID 77027760) is N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]pentanimidamide is CCC(CC(N)=NO)NC(C)C1CCCO1.
What is the InChIKey of N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]pentanimidamide?
The InChIKey is KWEGZLMVZGUITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-9(7-11(12)14-15)13-8(2)10-5-4-6-16-10/h8-10,13,15H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]pentanimidamide?
N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]pentanimidamide has a molecular weight of 229.32 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]pentanimidamide is sourced from PubChem (CID 77027760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).