N'-hydroxy-4-(3-methylmorpholin-4-yl)butanimidamide

C9H19N3O2 — CID 43542179

IUPACN'-hydroxy-4-(3-methylmorpholin-4-yl)butanimidamide
SMILESCC1COCCN1CCC/C(N)=N/O
InChIInChI=1S/C9H19N3O2/c1-8-7-14-6-5-12(8)4-2-3-9(10)11-13/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyRQTUEOPQEXRSMX-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.23
Rot. Bonds4

About N'-hydroxy-4-(3-methylmorpholin-4-yl)butanimidamide

N'-hydroxy-4-(3-methylmorpholin-4-yl)butanimidamide (PubChem CID 43542179) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-4-(3-methylmorpholin-4-yl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-methylmorpholin-4-yl)butanimidamide
PubChem CID43542179
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-4-(3-methylmorpholin-4-yl)butanimidamide
SMILESCC1COCCN1CCC/C(N)=N/O
InChIInChI=1S/C9H19N3O2/c1-8-7-14-6-5-12(8)4-2-3-9(10)11-13/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyRQTUEOPQEXRSMX-UHFFFAOYSA-N
XLogP0.23
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.23
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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Related Compounds

N'-hydroxy-3-(morpholin-4-yl)propanimidamide
CID 658263
N'-hydroxy-3-morpholin-4-ylpropanimidamide
CID 5787165
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 63223935
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 76987592
N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]butanimidamide
CID 77012153
N'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]butanimidamide
CID 77100309
3,3,3-trifluoro-N'-hydroxy-2-[(3-methylmorpholin-4-yl)methyl]propanimidamide
CID 103369257
2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369270
N'-hydroxy-4-morpholin-4-ylbutanimidamide
CID 22762054
2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxyethanimidamide
CID 24711778
(1Z)-N'-Hydroxy-2-(4-morpholinyl)propanimidamide
CID 45791226
N'-hydroxy-2-morpholino-propanamidine
CID 53433452

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-methylmorpholin-4-yl)butanimidamide?
The IUPAC name of N'-hydroxy-4-(3-methylmorpholin-4-yl)butanimidamide (CID 43542179) is N'-hydroxy-4-(3-methylmorpholin-4-yl)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(3-methylmorpholin-4-yl)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(3-methylmorpholin-4-yl)butanimidamide is CC1COCCN1CCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-(3-methylmorpholin-4-yl)butanimidamide?
The InChIKey is RQTUEOPQEXRSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-8-7-14-6-5-12(8)4-2-3-9(10)11-13/h8,13H,2-7H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-4-(3-methylmorpholin-4-yl)butanimidamide?
N'-hydroxy-4-(3-methylmorpholin-4-yl)butanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-methylmorpholin-4-yl)butanimidamide is sourced from PubChem (CID 43542179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).