N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanimidamide

C10H21N3O3 — CID 106299249

IUPACN'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanimidamide
SMILESCC(CNC1(CO)CCOCC1)C(N)=NO
InChIInChI=1S/C10H21N3O3/c1-8(9(11)13-15)6-12-10(7-14)2-4-16-5-3-10/h8,12,14-15H,2-7H2,1H3,(H2,11,13)
InChIKeyTULVOOXPIDCHGL-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.50
Rot. Bonds5

About N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanimidamide

N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanimidamide (PubChem CID 106299249) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanimidamide
PubChem CID106299249
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanimidamide
SMILESCC(CNC1(CO)CCOCC1)C(N)=NO
InChIInChI=1S/C10H21N3O3/c1-8(9(11)13-15)6-12-10(7-14)2-4-16-5-3-10/h8,12,14-15H,2-7H2,1H3,(H2,11,13)
InChIKeyTULVOOXPIDCHGL-UHFFFAOYSA-N
XLogP-0.50
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
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-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide
CID 106299226
3,3,3-trifluoro-N'-hydroxy-2-[[(4-methyloxan-4-yl)amino]methyl]propanimidamide
CID 113808066
3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide
CID 123238034
N'-hydroxy-3-[3-(hydroxymethyl)pentan-3-ylamino]propanimidamide
CID 77027815
N'-hydroxy-3-[3-(hydroxymethyl)pentan-3-ylamino]-2-methylpropanimidamide
CID 77027816
N'-hydroxy-3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylpropanimidamide
CID 77046455
N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]-2-methylpropanimidamide
CID 81131075
N'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide
CID 104866634
N'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide
CID 104866636
N'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide
CID 104866640
N'-hydroxy-2-methyl-3-[(3-methyloxan-3-yl)amino]propanimidamide
CID 105799088
N'-hydroxy-3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanimidamide
CID 106177152

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanimidamide (CID 106299249) is N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanimidamide is CC(CNC1(CO)CCOCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanimidamide?
The InChIKey is TULVOOXPIDCHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-8(9(11)13-15)6-12-10(7-14)2-4-16-5-3-10/h8,12,14-15H,2-7H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanimidamide?
N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanimidamide has a molecular weight of 231.30 g/mol, XLogP of -0.50, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanimidamide is sourced from PubChem (CID 106299249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).