2-(3,4-dimethylcyclohexyl)oxy-2-ethylbutan-1-amine

C14H29NO — CID 65051015

IUPAC2-(3,4-dimethylcyclohexyl)oxy-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)OC1CCC(C)C(C)C1
InChIInChI=1S/C14H29NO/c1-5-14(6-2,10-15)16-13-8-7-11(3)12(4)9-13/h11-13H,5-10,15H2,1-4H3
InChIKeyADDXUQTUPITKEN-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.35
Rot. Bonds5

About 2-(3,4-dimethylcyclohexyl)oxy-2-ethylbutan-1-amine

2-(3,4-dimethylcyclohexyl)oxy-2-ethylbutan-1-amine (PubChem CID 65051015) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-2-ethylbutan-1-amine
PubChem CID65051015
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)OC1CCC(C)C(C)C1
InChIInChI=1S/C14H29NO/c1-5-14(6-2,10-15)16-13-8-7-11(3)12(4)9-13/h11-13H,5-10,15H2,1-4H3
InChIKeyADDXUQTUPITKEN-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-2-ethylbutan-1-amine?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-2-ethylbutan-1-amine (CID 65051015) is 2-(3,4-dimethylcyclohexyl)oxy-2-ethylbutan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-2-ethylbutan-1-amine?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-2-ethylbutan-1-amine is CCC(CC)(CN)OC1CCC(C)C(C)C1.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-2-ethylbutan-1-amine?
The InChIKey is ADDXUQTUPITKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-14(6-2,10-15)16-13-8-7-11(3)12(4)9-13/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-2-ethylbutan-1-amine?
2-(3,4-dimethylcyclohexyl)oxy-2-ethylbutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxy-2-ethylbutan-1-amine is sourced from PubChem (CID 65051015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).