N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylpropanimidamide

C11H23N3O3 — CID 104985398

IUPACN'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylpropanimidamide
SMILESCC(CN(C)CC1(O)CCOCC1)C(N)=NO
InChIInChI=1S/C11H23N3O3/c1-9(10(12)13-16)7-14(2)8-11(15)3-5-17-6-4-11/h9,15-16H,3-8H2,1-2H3,(H2,12,13)
InChIKeyHWFZOZOWCPXGMY-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.16
Rot. Bonds5

About N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylpropanimidamide

N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylpropanimidamide (PubChem CID 104985398) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylpropanimidamide
PubChem CID104985398
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylpropanimidamide
SMILESCC(CN(C)CC1(O)CCOCC1)C(N)=NO
InChIInChI=1S/C11H23N3O3/c1-9(10(12)13-16)7-14(2)8-11(15)3-5-17-6-4-11/h9,15-16H,3-8H2,1-2H3,(H2,12,13)
InChIKeyHWFZOZOWCPXGMY-UHFFFAOYSA-N
XLogP-0.16
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.16
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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanimidamide
CID 103370017
3,3,3-trifluoro-N'-hydroxy-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide
CID 103370241
3,3,3-Trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide
CID 103370841
N'-hydroxy-3-[oxan-4-ylmethyl(propan-2-yl)amino]propanimidamide
CID 55066359
N'-hydroxy-3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide
CID 55171331
N'-hydroxy-3-[oxan-4-ylmethyl(propan-2-yl)amino]propanimidamide
CID 76207010
N'-hydroxy-3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76210941
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942668
3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76942669
3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76942670
N'-hydroxy-2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942671
N'-hydroxy-3-[2-methylpropyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942673

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylpropanimidamide (CID 104985398) is N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylpropanimidamide is CC(CN(C)CC1(O)CCOCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylpropanimidamide?
The InChIKey is HWFZOZOWCPXGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-9(10(12)13-16)7-14(2)8-11(15)3-5-17-6-4-11/h9,15-16H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylpropanimidamide?
N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylpropanimidamide has a molecular weight of 245.32 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylpropanimidamide is sourced from PubChem (CID 104985398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).