3-butan-2-yloxy-N'-hydroxypropanimidamide

C7H16N2O2 — CID 60904690

IUPAC3-butan-2-yloxy-N'-hydroxypropanimidamide
SMILESCCC(C)OCC/C(N)=N/O
InChIInChI=1S/C7H16N2O2/c1-3-6(2)11-5-4-7(8)9-10/h6,10H,3-5H2,1-2H3,(H2,8,9)
InChIKeyDJMSSXMDFMFZNM-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.94
Rot. Bonds5

About 3-butan-2-yloxy-N'-hydroxypropanimidamide

3-butan-2-yloxy-N'-hydroxypropanimidamide (PubChem CID 60904690) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-butan-2-yloxy-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N'-hydroxypropanimidamide
PubChem CID60904690
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name3-butan-2-yloxy-N'-hydroxypropanimidamide
SMILESCCC(C)OCC/C(N)=N/O
InChIInChI=1S/C7H16N2O2/c1-3-6(2)11-5-4-7(8)9-10/h6,10H,3-5H2,1-2H3,(H2,8,9)
InChIKeyDJMSSXMDFMFZNM-UHFFFAOYSA-N
XLogP0.94
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-butan-2-yloxy-N'-hydroxyethanimidamide
CID 76883223
4-ethoxy-N'-hydroxypentanimidamide
CID 89315184
N'-hydroxy-4-octan-2-yloxybutanimidamide
CID 43128354
N'-hydroxy-4-propan-2-yloxybutanimidamide
CID 24692714
5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063336
3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide
CID 59557674
N'-hydroxy-3-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis[(3Z)-3-amino-3-hydroxyiminopropoxy]hexoxy]propanimidamide
CID 58186608
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
N'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide
CID 74859890
4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide
CID 104864232
3-heptoxy-N'-hydroxypropanimidamide
CID 43128360
3-[(2R)-butan-2-yl]oxypropan-1-ol
CID 5315839

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N'-hydroxypropanimidamide?
The IUPAC name of 3-butan-2-yloxy-N'-hydroxypropanimidamide (CID 60904690) is 3-butan-2-yloxy-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-butan-2-yloxy-N'-hydroxypropanimidamide?
The canonical SMILES for 3-butan-2-yloxy-N'-hydroxypropanimidamide is CCC(C)OCC/C(N)=N/O.
What is the InChIKey of 3-butan-2-yloxy-N'-hydroxypropanimidamide?
The InChIKey is DJMSSXMDFMFZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-3-6(2)11-5-4-7(8)9-10/h6,10H,3-5H2,1-2H3,(H2,8,9).
What are the key properties of 3-butan-2-yloxy-N'-hydroxypropanimidamide?
3-butan-2-yloxy-N'-hydroxypropanimidamide has a molecular weight of 160.22 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N'-hydroxypropanimidamide is sourced from PubChem (CID 60904690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).