3-(cyclohexylmethoxy)-N'-hydroxy-2-methylpropanimidamide

C11H22N2O2 — CID 115001618

IUPAC3-(cyclohexylmethoxy)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(COCC1CCCCC1)C(N)=NO
InChIInChI=1S/C11H22N2O2/c1-9(11(12)13-14)7-15-8-10-5-3-2-4-6-10/h9-10,14H,2-8H2,1H3,(H2,12,13)
InChIKeyQQZFZYFWKCWJFI-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.97
Rot. Bonds5

About 3-(cyclohexylmethoxy)-N'-hydroxy-2-methylpropanimidamide

3-(cyclohexylmethoxy)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 115001618) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-N'-hydroxy-2-methylpropanimidamide
PubChem CID115001618
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(cyclohexylmethoxy)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(COCC1CCCCC1)C(N)=NO
InChIInChI=1S/C11H22N2O2/c1-9(11(12)13-14)7-15-8-10-5-3-2-4-6-10/h9-10,14H,2-8H2,1H3,(H2,12,13)
InChIKeyQQZFZYFWKCWJFI-UHFFFAOYSA-N
XLogP1.97
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.97
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-2-ylmethoxy)propanimidamide
CID 43368535
3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide
CID 43368378
3-(cyclohexylmethoxy)-2-(ethylamino)propanamide
CID 62382846
2-(cyclopentylmethoxy)-N'-hydroxyethanimidamide
CID 77124799
N'-hydroxy-2-methyl-3-pentoxypropanimidamide
CID 43275177
cyclohexylmethoxymethylcyclohexane;hydroxylamine
CID 67759423
3-hexoxy-N'-hydroxy-2-methylpropanimidamide
CID 43368824
3-(cyclopropylmethoxy)-2-methylpropanimidamide
CID 43368806
1-cyclohexyl-2-(cyclopentylmethoxy)ethanol
CID 104753739
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide
CID 104928884
5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063177
4-(cyclohexylmethoxy)-2-(methylamino)butanamide
CID 63035501

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(cyclohexylmethoxy)-N'-hydroxy-2-methylpropanimidamide (CID 115001618) is 3-(cyclohexylmethoxy)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(cyclohexylmethoxy)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(cyclohexylmethoxy)-N'-hydroxy-2-methylpropanimidamide is CC(COCC1CCCCC1)C(N)=NO.
What is the InChIKey of 3-(cyclohexylmethoxy)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is QQZFZYFWKCWJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(11(12)13-14)7-15-8-10-5-3-2-4-6-10/h9-10,14H,2-8H2,1H3,(H2,12,13).
What are the key properties of 3-(cyclohexylmethoxy)-N'-hydroxy-2-methylpropanimidamide?
3-(cyclohexylmethoxy)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 214.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 115001618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).