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

C8H17N3O2 — CID 43542180

IUPACN'-hydroxy-3-(3-methylmorpholin-4-yl)propanimidamide
SMILESCC1COCCN1CC/C(N)=N/O
InChIInChI=1S/C8H17N3O2/c1-7-6-13-5-4-11(7)3-2-8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyHTFRTHPICAIAIH-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.16
Rot. Bonds3

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

N'-hydroxy-3-(3-methylmorpholin-4-yl)propanimidamide (PubChem CID 43542180) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N'-hydroxy-3-(3-methylmorpholin-4-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-methylmorpholin-4-yl)propanimidamide
PubChem CID43542180
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN'-hydroxy-3-(3-methylmorpholin-4-yl)propanimidamide
SMILESCC1COCCN1CC/C(N)=N/O
InChIInChI=1S/C8H17N3O2/c1-7-6-13-5-4-11(7)3-2-8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyHTFRTHPICAIAIH-UHFFFAOYSA-N
XLogP-0.16
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.16
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-4-methylmorpholine-2-carboximidamide
CID 75356172
N'-hydroxy-3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54997863
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 63223935
N'-hydroxy-3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76205672
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-3-[propan-2-yl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100274
3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 80696187
3-[3-fluoropropyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 81106495
4-(3-fluoropropyl)-N'-hydroxymorpholine-2-carboximidamide
CID 81106502

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-methylmorpholin-4-yl)propanimidamide?
The IUPAC name of N'-hydroxy-3-(3-methylmorpholin-4-yl)propanimidamide (CID 43542180) is N'-hydroxy-3-(3-methylmorpholin-4-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-methylmorpholin-4-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-methylmorpholin-4-yl)propanimidamide is CC1COCCN1CC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-(3-methylmorpholin-4-yl)propanimidamide?
The InChIKey is HTFRTHPICAIAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-7-6-13-5-4-11(7)3-2-8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-(3-methylmorpholin-4-yl)propanimidamide?
N'-hydroxy-3-(3-methylmorpholin-4-yl)propanimidamide has a molecular weight of 187.24 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-methylmorpholin-4-yl)propanimidamide is sourced from PubChem (CID 43542180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).