6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide

C16H32N2O — CID 106712451

IUPAC6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOC1CCC(C)C(C)C1
InChIInChI=1S/C16H32N2O/c1-12-7-8-14(11-13(12)2)19-10-6-5-9-16(3,4)15(17)18/h12-14H,5-11H2,1-4H3,(H3,17,18)
InChIKeyAUQWAEASRLCXMG-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.96
Rot. Bonds7

About 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide

6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide (PubChem CID 106712451) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide
PubChem CID106712451
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOC1CCC(C)C(C)C1
InChIInChI=1S/C16H32N2O/c1-12-7-8-14(11-13(12)2)19-10-6-5-9-16(3,4)15(17)18/h12-14H,5-11H2,1-4H3,(H3,17,18)
InChIKeyAUQWAEASRLCXMG-UHFFFAOYSA-N
XLogP3.96
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.96
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 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide (CID 106712451) is 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCOC1CCC(C)C(C)C1.
What is the InChIKey of 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide?
The InChIKey is AUQWAEASRLCXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12-7-8-14(11-13(12)2)19-10-6-5-9-16(3,4)15(17)18/h12-14H,5-11H2,1-4H3,(H3,17,18).
What are the key properties of 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide?
6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide has a molecular weight of 268.44 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106712451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).