N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide

C10H21N3O2 — CID 77031801

IUPACN'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide
SMILESCC(CC(N)=NO)NCC1CCCOC1
InChIInChI=1S/C10H21N3O2/c1-8(5-10(11)13-14)12-6-9-3-2-4-15-7-9/h8-9,12,14H,2-7H2,1H3,(H2,11,13)
InChIKeyFGDREBFFCHYDIK-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.53
Rot. Bonds5

About N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide

N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide (PubChem CID 77031801) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide
PubChem CID77031801
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide
SMILESCC(CC(N)=NO)NCC1CCCOC1
InChIInChI=1S/C10H21N3O2/c1-8(5-10(11)13-14)12-6-9-3-2-4-15-7-9/h8-9,12,14H,2-7H2,1H3,(H2,11,13)
InChIKeyFGDREBFFCHYDIK-UHFFFAOYSA-N
XLogP0.53
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.53
H-Bond Donors ≤ 53
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-(oxan-3-ylamino)butanimidamide
CID 77028497
N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide
CID 77031802
N'-hydroxy-3-(oxolan-3-ylmethylamino)pentanimidamide
CID 77032695
1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine
CID 115710920
4-methyl-N-(oxan-3-ylmethyl)pentan-2-amine
CID 61020127
3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide
CID 76927279
4,4,4-trifluoro-N-(oxan-3-ylmethyl)butan-2-amine
CID 103778206
N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide
CID 55225847
2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol
CID 115907690
1-morpholin-4-yl-N-(oxan-3-ylmethyl)propan-2-amine
CID 55242797
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide
CID 77026503
methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate
CID 63739850

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide?
The IUPAC name of N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide (CID 77031801) is N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide is CC(CC(N)=NO)NCC1CCCOC1.
What is the InChIKey of N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide?
The InChIKey is FGDREBFFCHYDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(5-10(11)13-14)12-6-9-3-2-4-15-7-9/h8-9,12,14H,2-7H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide?
N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide is sourced from PubChem (CID 77031801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).