N'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide

C11H23N3O3 — CID 114170298

IUPACN'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide
SMILESNC(CCCCNC1(CO)CCOCC1)=NO
InChIInChI=1S/C11H23N3O3/c12-10(14-16)3-1-2-6-13-11(9-15)4-7-17-8-5-11/h13,15-16H,1-9H2,(H2,12,14)
InChIKeyZVDLYASWMHJOJR-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.03
Rot. Bonds7

About N'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide

N'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide (PubChem CID 114170298) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide
PubChem CID114170298
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide
SMILESNC(CCCCNC1(CO)CCOCC1)=NO
InChIInChI=1S/C11H23N3O3/c12-10(14-16)3-1-2-6-13-11(9-15)4-7-17-8-5-11/h13,15-16H,1-9H2,(H2,12,14)
InChIKeyZVDLYASWMHJOJR-UHFFFAOYSA-N
XLogP0.03
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
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': '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'}

Analyze N'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide with MolForge

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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide
CID 106299226
N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide
CID 77028028
N'-hydroxy-4-[3-(hydroxymethyl)pentan-3-ylamino]butanimidamide
CID 77028663
N'-hydroxy-5-[(1-hydroxy-2-methylbutan-2-yl)amino]pentanimidamide
CID 77046459
N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide
CID 81130472
N'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide
CID 104866636
N'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide
CID 104866637
N'-hydroxy-5-[[1-(hydroxymethyl)cyclobutyl]amino]pentanimidamide
CID 104873923
N'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide
CID 106177173
N'-hydroxy-4-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide
CID 106177175
[4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol
CID 106297496
[4-(2,3,4,5-Tetrahydropyridin-6-ylamino)oxan-4-yl]methanol
CID 106297711

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide (CID 114170298) is N'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide is NC(CCCCNC1(CO)CCOCC1)=NO.
What is the InChIKey of N'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide?
The InChIKey is ZVDLYASWMHJOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c12-10(14-16)3-1-2-6-13-11(9-15)4-7-17-8-5-11/h13,15-16H,1-9H2,(H2,12,14).
What are the key properties of N'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide?
N'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide has a molecular weight of 245.32 g/mol, XLogP of 0.03, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide is sourced from PubChem (CID 114170298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).