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

C10H21N3O3 — CID 104985399

IUPACN'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanimidamide
SMILESCN(CCC(N)=NO)CC1(O)CCOCC1
InChIInChI=1S/C10H21N3O3/c1-13(5-2-9(11)12-15)8-10(14)3-6-16-7-4-10/h14-15H,2-8H2,1H3,(H2,11,12)
InChIKeyNAOGMFMCUJTTRF-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.40
Rot. Bonds5

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

N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanimidamide (PubChem CID 104985399) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanimidamide
PubChem CID104985399
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanimidamide
SMILESCN(CCC(N)=NO)CC1(O)CCOCC1
InChIInChI=1S/C10H21N3O3/c1-13(5-2-9(11)12-15)8-10(14)3-6-16-7-4-10/h14-15H,2-8H2,1H3,(H2,11,12)
InChIKeyNAOGMFMCUJTTRF-UHFFFAOYSA-N
XLogP-0.40
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.40
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-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanimidamide
CID 55171331
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
N'-hydroxy-4-[methyl(oxan-4-ylmethyl)amino]butanimidamide
CID 76951548
N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide
CID 81130472

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanimidamide (CID 104985399) is N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanimidamide is CN(CCC(N)=NO)CC1(O)CCOCC1.
What is the InChIKey of N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanimidamide?
The InChIKey is NAOGMFMCUJTTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-13(5-2-9(11)12-15)8-10(14)3-6-16-7-4-10/h14-15H,2-8H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanimidamide?
N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanimidamide has a molecular weight of 231.30 g/mol, XLogP of -0.40, 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]propanimidamide is sourced from PubChem (CID 104985399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).