N'-hydroxy-4-morpholin-4-ylbutanimidamide

C8H17N3O2 — CID 22762054

IUPACN'-hydroxy-4-morpholin-4-ylbutanimidamide
SMILESN/C(CCCN1CCOCC1)=N\O
InChIInChI=1S/C8H17N3O2/c9-8(10-12)2-1-3-11-4-6-13-7-5-11/h12H,1-7H2,(H2,9,10)
InChIKeyALSUZWPSQNIYQI-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.15
Rot. Bonds4

About N'-hydroxy-4-morpholin-4-ylbutanimidamide

N'-hydroxy-4-morpholin-4-ylbutanimidamide (PubChem CID 22762054) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N'-hydroxy-4-morpholin-4-ylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-morpholin-4-ylbutanimidamide
PubChem CID22762054
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN'-hydroxy-4-morpholin-4-ylbutanimidamide
SMILESN/C(CCCN1CCOCC1)=N\O
InChIInChI=1S/C8H17N3O2/c9-8(10-12)2-1-3-11-4-6-13-7-5-11/h12H,1-7H2,(H2,9,10)
InChIKeyALSUZWPSQNIYQI-UHFFFAOYSA-N
XLogP-0.15
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-morpholin-4-ylbutanimidamide?
The IUPAC name of N'-hydroxy-4-morpholin-4-ylbutanimidamide (CID 22762054) is N'-hydroxy-4-morpholin-4-ylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-morpholin-4-ylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-morpholin-4-ylbutanimidamide is N/C(CCCN1CCOCC1)=N\O.
What is the InChIKey of N'-hydroxy-4-morpholin-4-ylbutanimidamide?
The InChIKey is ALSUZWPSQNIYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c9-8(10-12)2-1-3-11-4-6-13-7-5-11/h12H,1-7H2,(H2,9,10).
What are the key properties of N'-hydroxy-4-morpholin-4-ylbutanimidamide?
N'-hydroxy-4-morpholin-4-ylbutanimidamide has a molecular weight of 187.24 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-morpholin-4-ylbutanimidamide is sourced from PubChem (CID 22762054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).