3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide

C9H18N2O2 — CID 43368378

IUPAC3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide
SMILESCC(COC1CCCC1)/C(N)=N/O
InChIInChI=1S/C9H18N2O2/c1-7(9(10)11-12)6-13-8-4-2-3-5-8/h7-8,12H,2-6H2,1H3,(H2,10,11)
InChIKeyUVFFJMPXWNZMJS-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.33
Rot. Bonds4

About 3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide

3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide (PubChem CID 43368378) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide
PubChem CID43368378
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide
SMILESCC(COC1CCCC1)/C(N)=N/O
InChIInChI=1S/C9H18N2O2/c1-7(9(10)11-12)6-13-8-4-2-3-5-8/h7-8,12H,2-6H2,1H3,(H2,10,11)
InChIKeyUVFFJMPXWNZMJS-UHFFFAOYSA-N
XLogP1.33
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.33
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

N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide
CID 114987791
3-(cyclohexylmethoxy)-N'-hydroxy-2-methylpropanimidamide
CID 115001618
3-cycloheptyloxy-2-methylpropanimidamide
CID 114995552
N'-hydroxy-2-methyl-3-(oxan-2-ylmethoxy)propanimidamide
CID 43368535
1-cyclododecyloxypropan-2-ol
CID 54403914
3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 61220902
3-cyclopentyloxy-2-methylpropan-1-amine
CID 43367941
3-hexoxy-N'-hydroxy-2-methylpropanimidamide
CID 43368824
(2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid
CID 177277401
N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide
CID 76948246
3-[[(1R)-1-cyclopentylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81390297
3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81391679

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide (CID 43368378) is 3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide is CC(COC1CCCC1)/C(N)=N/O.
What is the InChIKey of 3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is UVFFJMPXWNZMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(9(10)11-12)6-13-8-4-2-3-5-8/h7-8,12H,2-6H2,1H3,(H2,10,11).
What are the key properties of 3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide?
3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 186.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 43368378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).