2-(cyclohexylmethoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide

C19H31N3O3 — CID 56672720

IUPAC2-(cyclohexylmethoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide
SMILESCOCCN(/C(=N\O)c1cccnc1OCC1CCCCC1)C(C)C
InChIInChI=1S/C19H31N3O3/c1-15(2)22(12-13-24-3)18(21-23)17-10-7-11-20-19(17)25-14-16-8-5-4-6-9-16/h7,10-11,15-16,23H,4-6,8-9,12-14H2,1-3H3/b21-18-
InChIKeyDAQGYPVOVCFWLA-UZYVYHOESA-N
MW349.48 g/mol
LogP3.53
Rot. Bonds8

About 2-(cyclohexylmethoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide

2-(cyclohexylmethoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide (PubChem CID 56672720) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide
PubChem CID56672720
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name2-(cyclohexylmethoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide
SMILESCOCCN(/C(=N\O)c1cccnc1OCC1CCCCC1)C(C)C
InChIInChI=1S/C19H31N3O3/c1-15(2)22(12-13-24-3)18(21-23)17-10-7-11-20-19(17)25-14-16-8-5-4-6-9-16/h7,10-11,15-16,23H,4-6,8-9,12-14H2,1-3H3/b21-18-
InChIKeyDAQGYPVOVCFWLA-UZYVYHOESA-N
XLogP3.53
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide?
The IUPAC name of 2-(cyclohexylmethoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide (CID 56672720) is 2-(cyclohexylmethoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(cyclohexylmethoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide?
The canonical SMILES for 2-(cyclohexylmethoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide is COCCN(/C(=N\O)c1cccnc1OCC1CCCCC1)C(C)C.
What is the InChIKey of 2-(cyclohexylmethoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide?
The InChIKey is DAQGYPVOVCFWLA-UZYVYHOESA-N. The full InChI is InChI=1S/C19H31N3O3/c1-15(2)22(12-13-24-3)18(21-23)17-10-7-11-20-19(17)25-14-16-8-5-4-6-9-16/h7,10-11,15-16,23H,4-6,8-9,12-14H2,1-3H3/b21-18-.
What are the key properties of 2-(cyclohexylmethoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide?
2-(cyclohexylmethoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide has a molecular weight of 349.48 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-N'-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboximidamide is sourced from PubChem (CID 56672720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).