N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butanimidamide

C10H21N3O3 — CID 81203693

IUPACN'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butanimidamide
SMILESCC1COC(CO)CN1C(C)CC(N)=NO
InChIInChI=1S/C10H21N3O3/c1-7(3-10(11)12-15)13-4-9(5-14)16-6-8(13)2/h7-9,14-15H,3-6H2,1-2H3,(H2,11,12)
InChIKeyAPRFHGUOKTZKKU-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.41
Rot. Bonds4

About N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butanimidamide

N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butanimidamide (PubChem CID 81203693) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butanimidamide
PubChem CID81203693
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butanimidamide
SMILESCC1COC(CO)CN1C(C)CC(N)=NO
InChIInChI=1S/C10H21N3O3/c1-7(3-10(11)12-15)13-4-9(5-14)16-6-8(13)2/h7-9,14-15H,3-6H2,1-2H3,(H2,11,12)
InChIKeyAPRFHGUOKTZKKU-UHFFFAOYSA-N
XLogP-0.41
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butanimidamide (CID 81203693) is N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butanimidamide is CC1COC(CO)CN1C(C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butanimidamide?
The InChIKey is APRFHGUOKTZKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-7(3-10(11)12-15)13-4-9(5-14)16-6-8(13)2/h7-9,14-15H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butanimidamide?
N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butanimidamide has a molecular weight of 231.30 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butanimidamide is sourced from PubChem (CID 81203693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).