4-(2-methylcyclohexyl)oxybutanimidamide

C11H22N2O — CID 24691958

IUPAC4-(2-methylcyclohexyl)oxybutanimidamide
SMILES[H]/N=C(\N)CCCOC1CCCCC1C
InChIInChI=1S/C11H22N2O/c1-9-5-2-3-6-10(9)14-8-4-7-11(12)13/h9-10H,2-8H2,1H3,(H3,12,13)
InChIKeyMQQJLNYBVLVGTM-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.30
Rot. Bonds5

About 4-(2-methylcyclohexyl)oxybutanimidamide

4-(2-methylcyclohexyl)oxybutanimidamide (PubChem CID 24691958) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-(2-methylcyclohexyl)oxybutanimidamide.

Molecular Properties

Compound Name4-(2-methylcyclohexyl)oxybutanimidamide
PubChem CID24691958
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-(2-methylcyclohexyl)oxybutanimidamide
SMILES[H]/N=C(\N)CCCOC1CCCCC1C
InChIInChI=1S/C11H22N2O/c1-9-5-2-3-6-10(9)14-8-4-7-11(12)13/h9-10H,2-8H2,1H3,(H3,12,13)
InChIKeyMQQJLNYBVLVGTM-UHFFFAOYSA-N
XLogP2.30
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-(2-methylcyclohexyl)oxybutanimidamide?
The IUPAC name of 4-(2-methylcyclohexyl)oxybutanimidamide (CID 24691958) is 4-(2-methylcyclohexyl)oxybutanimidamide.
What is the SMILES notation for 4-(2-methylcyclohexyl)oxybutanimidamide?
The canonical SMILES for 4-(2-methylcyclohexyl)oxybutanimidamide is [H]/N=C(\N)CCCOC1CCCCC1C.
What is the InChIKey of 4-(2-methylcyclohexyl)oxybutanimidamide?
The InChIKey is MQQJLNYBVLVGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-5-2-3-6-10(9)14-8-4-7-11(12)13/h9-10H,2-8H2,1H3,(H3,12,13).
What are the key properties of 4-(2-methylcyclohexyl)oxybutanimidamide?
4-(2-methylcyclohexyl)oxybutanimidamide has a molecular weight of 198.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylcyclohexyl)oxybutanimidamide is sourced from PubChem (CID 24691958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).