N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide

C12H25N3O3 — CID 104985392

IUPACN'-hydroxy-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide
SMILESCN(CCCCC(N)=NO)CC1(O)CCOCC1
InChIInChI=1S/C12H25N3O3/c1-15(7-3-2-4-11(13)14-17)10-12(16)5-8-18-9-6-12/h16-17H,2-10H2,1H3,(H2,13,14)
InChIKeyYULKRPOOAYRILF-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.38
Rot. Bonds7

About N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide

N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide (PubChem CID 104985392) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide
PubChem CID104985392
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC NameN'-hydroxy-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide
SMILESCN(CCCCC(N)=NO)CC1(O)CCOCC1
InChIInChI=1S/C12H25N3O3/c1-15(7-3-2-4-11(13)14-17)10-12(16)5-8-18-9-6-12/h16-17H,2-10H2,1H3,(H2,13,14)
InChIKeyYULKRPOOAYRILF-UHFFFAOYSA-N
XLogP0.38
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3,3,3-trifluoro-N'-hydroxy-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide
CID 103370241
3,3,3-Trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide
CID 103370841
N'-hydroxy-3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide
CID 55171331
N'-hydroxy-3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76210941
N'-hydroxy-4-[methyl(oxan-4-ylmethyl)amino]butanimidamide
CID 76951548
N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
CID 76951572
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

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide (CID 104985392) is N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide is CN(CCCCC(N)=NO)CC1(O)CCOCC1.
What is the InChIKey of N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide?
The InChIKey is YULKRPOOAYRILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-15(7-3-2-4-11(13)14-17)10-12(16)5-8-18-9-6-12/h16-17H,2-10H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide?
N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide has a molecular weight of 259.35 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide is sourced from PubChem (CID 104985392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).