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

C11H23N3O3 — CID 81130472

IUPACN'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide
SMILESNC(CCCCNCC1(O)CCOCC1)=NO
InChIInChI=1S/C11H23N3O3/c12-10(14-16)3-1-2-6-13-9-11(15)4-7-17-8-5-11/h13,15-16H,1-9H2,(H2,12,14)
InChIKeyQQXNCYOLQVMWMI-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.03
Rot. Bonds7

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

N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide (PubChem CID 81130472) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide
PubChem CID81130472
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide
SMILESNC(CCCCNCC1(O)CCOCC1)=NO
InChIInChI=1S/C11H23N3O3/c12-10(14-16)3-1-2-6-13-9-11(15)4-7-17-8-5-11/h13,15-16H,1-9H2,(H2,12,14)
InChIKeyQQXNCYOLQVMWMI-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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide (CID 81130472) is N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide is NC(CCCCNCC1(O)CCOCC1)=NO.
What is the InChIKey of N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide?
The InChIKey is QQXNCYOLQVMWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c12-10(14-16)3-1-2-6-13-9-11(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-hydroxyoxan-4-yl)methylamino]pentanimidamide?
N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]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-hydroxyoxan-4-yl)methylamino]pentanimidamide is sourced from PubChem (CID 81130472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).