N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide

C11H23N3O3 — CID 81131074

IUPACN'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NCC1(O)CCOCC1
InChIInChI=1S/C11H23N3O3/c1-2-9(7-10(12)14-16)13-8-11(15)3-5-17-6-4-11/h9,13,15-16H,2-8H2,1H3,(H2,12,14)
InChIKeySSYMATTUULYLAE-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.03
Rot. Bonds6

About N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide

N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide (PubChem CID 81131074) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide
PubChem CID81131074
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NCC1(O)CCOCC1
InChIInChI=1S/C11H23N3O3/c1-2-9(7-10(12)14-16)13-8-11(15)3-5-17-6-4-11/h9,13,15-16H,2-8H2,1H3,(H2,12,14)
InChIKeySSYMATTUULYLAE-UHFFFAOYSA-N
XLogP0.03
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

Analyze N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanimidamide
CID 103370017
N'-hydroxy-3-(oxan-4-ylmethylamino)pentanimidamide
CID 77027436
N'-hydroxy-3-(oxan-4-ylmethylamino)butanimidamide
CID 77028057
N'-hydroxy-2-methyl-3-(oxan-3-ylamino)propanimidamide
CID 77028496
N'-hydroxy-3-(oxan-3-ylamino)pentanimidamide
CID 77028915
N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide
CID 81130472
N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methylamino]propanimidamide
CID 81130473
N'-hydroxy-4-[(4-hydroxyoxan-4-yl)methylamino]-2,2-dimethylbutanimidamide
CID 81130556
N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]butanimidamide
CID 81130557
N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methylamino]ethanimidamide
CID 81130733
N'-hydroxy-2-[1-[[(4-hydroxyoxan-4-yl)methylamino]methyl]cyclopropyl]ethanimidamide
CID 81130813
N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]-2-methylpropanimidamide
CID 81131075

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide (CID 81131074) is N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide is CCC(CC(N)=NO)NCC1(O)CCOCC1.
What is the InChIKey of N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide?
The InChIKey is SSYMATTUULYLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-2-9(7-10(12)14-16)13-8-11(15)3-5-17-6-4-11/h9,13,15-16H,2-8H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide?
N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide has a molecular weight of 245.32 g/mol, XLogP of 0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide is sourced from PubChem (CID 81131074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).