6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide

C17H34N2O2 — CID 64746944

IUPAC6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide
SMILESCCNC(C)(CCCCOC1CCC(C)C(C)C1)C(N)=O
InChIInChI=1S/C17H34N2O2/c1-5-19-17(4,16(18)20)10-6-7-11-21-15-9-8-13(2)14(3)12-15/h13-15,19H,5-12H2,1-4H3,(H2,18,20)
InChIKeyAEMNXVLLRGOWRC-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.85
Rot. Bonds9

About 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide

6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide (PubChem CID 64746944) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide.

Molecular Properties

Compound Name6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide
PubChem CID64746944
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide
SMILESCCNC(C)(CCCCOC1CCC(C)C(C)C1)C(N)=O
InChIInChI=1S/C17H34N2O2/c1-5-19-17(4,16(18)20)10-6-7-11-21-15-9-8-13(2)14(3)12-15/h13-15,19H,5-12H2,1-4H3,(H2,18,20)
InChIKeyAEMNXVLLRGOWRC-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide?
The IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide (CID 64746944) is 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide.
What is the SMILES notation for 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide?
The canonical SMILES for 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide is CCNC(C)(CCCCOC1CCC(C)C(C)C1)C(N)=O.
What is the InChIKey of 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide?
The InChIKey is AEMNXVLLRGOWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-19-17(4,16(18)20)10-6-7-11-21-15-9-8-13(2)14(3)12-15/h13-15,19H,5-12H2,1-4H3,(H2,18,20).
What are the key properties of 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide?
6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide has a molecular weight of 298.47 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide is sourced from PubChem (CID 64746944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).