2-cyclohexyl-2-methoxyethanimidamide

C9H18N2O — CID 116740227

IUPAC2-cyclohexyl-2-methoxyethanimidamide
SMILES[H]/N=C(\N)C(OC)C1CCCCC1
InChIInChI=1S/C9H18N2O/c1-12-8(9(10)11)7-5-3-2-4-6-7/h7-8H,2-6H2,1H3,(H3,10,11)
InChIKeyHEKPXBUMROEYDN-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.52
Rot. Bonds3

About 2-cyclohexyl-2-methoxyethanimidamide

2-cyclohexyl-2-methoxyethanimidamide (PubChem CID 116740227) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-cyclohexyl-2-methoxyethanimidamide.

Molecular Properties

Compound Name2-cyclohexyl-2-methoxyethanimidamide
PubChem CID116740227
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-cyclohexyl-2-methoxyethanimidamide
SMILES[H]/N=C(\N)C(OC)C1CCCCC1
InChIInChI=1S/C9H18N2O/c1-12-8(9(10)11)7-5-3-2-4-6-7/h7-8H,2-6H2,1H3,(H3,10,11)
InChIKeyHEKPXBUMROEYDN-UHFFFAOYSA-N
XLogP1.52
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methoxyethanimidamide?
The IUPAC name of 2-cyclohexyl-2-methoxyethanimidamide (CID 116740227) is 2-cyclohexyl-2-methoxyethanimidamide.
What is the SMILES notation for 2-cyclohexyl-2-methoxyethanimidamide?
The canonical SMILES for 2-cyclohexyl-2-methoxyethanimidamide is [H]/N=C(\N)C(OC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-methoxyethanimidamide?
The InChIKey is HEKPXBUMROEYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-12-8(9(10)11)7-5-3-2-4-6-7/h7-8H,2-6H2,1H3,(H3,10,11).
What are the key properties of 2-cyclohexyl-2-methoxyethanimidamide?
2-cyclohexyl-2-methoxyethanimidamide has a molecular weight of 170.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methoxyethanimidamide is sourced from PubChem (CID 116740227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).