2-(2-ethylbutoxy)-4-methylcyclohexa-1,5-dien-1-amine

C13H23NO — CID 166661449

IUPAC2-(2-ethylbutoxy)-4-methylcyclohexa-1,5-dien-1-amine
SMILESCCC(CC)COC1=C(N)C=CC(C)C1
InChIInChI=1S/C13H23NO/c1-4-11(5-2)9-15-13-8-10(3)6-7-12(13)14/h6-7,10-11H,4-5,8-9,14H2,1-3H3
InChIKeyFJFUFRJSBWNYCT-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.21
Rot. Bonds5

About 2-(2-ethylbutoxy)-4-methylcyclohexa-1,5-dien-1-amine

2-(2-ethylbutoxy)-4-methylcyclohexa-1,5-dien-1-amine (PubChem CID 166661449) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(2-ethylbutoxy)-4-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-(2-ethylbutoxy)-4-methylcyclohexa-1,5-dien-1-amine
PubChem CID166661449
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(2-ethylbutoxy)-4-methylcyclohexa-1,5-dien-1-amine
SMILESCCC(CC)COC1=C(N)C=CC(C)C1
InChIInChI=1S/C13H23NO/c1-4-11(5-2)9-15-13-8-10(3)6-7-12(13)14/h6-7,10-11H,4-5,8-9,14H2,1-3H3
InChIKeyFJFUFRJSBWNYCT-UHFFFAOYSA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutoxy)-4-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-(2-ethylbutoxy)-4-methylcyclohexa-1,5-dien-1-amine (CID 166661449) is 2-(2-ethylbutoxy)-4-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-(2-ethylbutoxy)-4-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-(2-ethylbutoxy)-4-methylcyclohexa-1,5-dien-1-amine is CCC(CC)COC1=C(N)C=CC(C)C1.
What is the InChIKey of 2-(2-ethylbutoxy)-4-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is FJFUFRJSBWNYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-11(5-2)9-15-13-8-10(3)6-7-12(13)14/h6-7,10-11H,4-5,8-9,14H2,1-3H3.
What are the key properties of 2-(2-ethylbutoxy)-4-methylcyclohexa-1,5-dien-1-amine?
2-(2-ethylbutoxy)-4-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutoxy)-4-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 166661449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).