3-(3-methylcyclohexyl)oxybutanimidamide

C11H22N2O — CID 114995551

IUPAC3-(3-methylcyclohexyl)oxybutanimidamide
SMILES[H]/N=C(\N)CC(C)OC1CCCC(C)C1
InChIInChI=1S/C11H22N2O/c1-8-4-3-5-10(6-8)14-9(2)7-11(12)13/h8-10H,3-7H2,1-2H3,(H3,12,13)
InChIKeySYJIELSTNSGXNH-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.30
Rot. Bonds4

About 3-(3-methylcyclohexyl)oxybutanimidamide

3-(3-methylcyclohexyl)oxybutanimidamide (PubChem CID 114995551) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)oxybutanimidamide.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)oxybutanimidamide
PubChem CID114995551
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-(3-methylcyclohexyl)oxybutanimidamide
SMILES[H]/N=C(\N)CC(C)OC1CCCC(C)C1
InChIInChI=1S/C11H22N2O/c1-8-4-3-5-10(6-8)14-9(2)7-11(12)13/h8-10H,3-7H2,1-2H3,(H3,12,13)
InChIKeySYJIELSTNSGXNH-UHFFFAOYSA-N
XLogP2.30
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': '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 3-(3-methylcyclohexyl)oxybutanimidamide?
The IUPAC name of 3-(3-methylcyclohexyl)oxybutanimidamide (CID 114995551) is 3-(3-methylcyclohexyl)oxybutanimidamide.
What is the SMILES notation for 3-(3-methylcyclohexyl)oxybutanimidamide?
The canonical SMILES for 3-(3-methylcyclohexyl)oxybutanimidamide is [H]/N=C(\N)CC(C)OC1CCCC(C)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)oxybutanimidamide?
The InChIKey is SYJIELSTNSGXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8-4-3-5-10(6-8)14-9(2)7-11(12)13/h8-10H,3-7H2,1-2H3,(H3,12,13).
What are the key properties of 3-(3-methylcyclohexyl)oxybutanimidamide?
3-(3-methylcyclohexyl)oxybutanimidamide has a molecular weight of 198.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)oxybutanimidamide is sourced from PubChem (CID 114995551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).