N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide

C11H23N3O3 — CID 106299255

IUPACN'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide
SMILESCCC(CC(N)=NO)NC1(CO)CCOCC1
InChIInChI=1S/C11H23N3O3/c1-2-9(7-10(12)14-16)13-11(8-15)3-5-17-6-4-11/h9,13,15-16H,2-8H2,1H3,(H2,12,14)
InChIKeyRMEOISIJKQNKPI-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.03
Rot. Bonds6

About N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide

N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide (PubChem CID 106299255) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide
PubChem CID106299255
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide
SMILESCCC(CC(N)=NO)NC1(CO)CCOCC1
InChIInChI=1S/C11H23N3O3/c1-2-9(7-10(12)14-16)13-11(8-15)3-5-17-6-4-11/h9,13,15-16H,2-8H2,1H3,(H2,12,14)
InChIKeyRMEOISIJKQNKPI-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'}

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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-3-(oxan-4-ylmethylamino)pentanimidamide
CID 77027436
N'-hydroxy-3-[3-(hydroxymethyl)pentan-3-ylamino]butanimidamide
CID 77027817
N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide
CID 77028028
N'-hydroxy-3-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide
CID 77028447
N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide
CID 77032406
N'-hydroxy-3-[(1-hydroxy-2-methylbutan-2-yl)amino]pentanimidamide
CID 77046473
N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]butanimidamide
CID 81130557
N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide
CID 81131074
N'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide
CID 104866636
N'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide
CID 104866637
N'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide
CID 104866640

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide (CID 106299255) is N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide is CCC(CC(N)=NO)NC1(CO)CCOCC1.
What is the InChIKey of N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide?
The InChIKey is RMEOISIJKQNKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-2-9(7-10(12)14-16)13-11(8-15)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-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide?
N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]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-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide is sourced from PubChem (CID 106299255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).