N'-hydroxy-2-methyl-3-morpholin-4-ylpropanimidamide

C8H17N3O2 — CID 43367733

IUPACN'-hydroxy-2-methyl-3-morpholin-4-ylpropanimidamide
SMILESCC(CN1CCOCC1)/C(N)=N/O
InChIInChI=1S/C8H17N3O2/c1-7(8(9)10-12)6-11-2-4-13-5-3-11/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyBDIVJKUFDNKTFV-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.30
Rot. Bonds3

About N'-hydroxy-2-methyl-3-morpholin-4-ylpropanimidamide

N'-hydroxy-2-methyl-3-morpholin-4-ylpropanimidamide (PubChem CID 43367733) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-morpholin-4-ylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-morpholin-4-ylpropanimidamide
PubChem CID43367733
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN'-hydroxy-2-methyl-3-morpholin-4-ylpropanimidamide
SMILESCC(CN1CCOCC1)/C(N)=N/O
InChIInChI=1S/C8H17N3O2/c1-7(8(9)10-12)6-11-2-4-13-5-3-11/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyBDIVJKUFDNKTFV-UHFFFAOYSA-N
XLogP-0.30
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 ≤ 5-0.30
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
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 76204705
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76204946
N'-hydroxy-3-[2-methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76917229
3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 77100271
N'-hydroxy-2-methyl-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100273
N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100280
3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 80696187

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-morpholin-4-ylpropanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-morpholin-4-ylpropanimidamide (CID 43367733) is N'-hydroxy-2-methyl-3-morpholin-4-ylpropanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-morpholin-4-ylpropanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-morpholin-4-ylpropanimidamide is CC(CN1CCOCC1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-morpholin-4-ylpropanimidamide?
The InChIKey is BDIVJKUFDNKTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-7(8(9)10-12)6-11-2-4-13-5-3-11/h7,12H,2-6H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-methyl-3-morpholin-4-ylpropanimidamide?
N'-hydroxy-2-methyl-3-morpholin-4-ylpropanimidamide has a molecular weight of 187.24 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-morpholin-4-ylpropanimidamide is sourced from PubChem (CID 43367733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).