1-ethyl-2-(3-fluorohexyl)cyclobutan-1-amine

C12H24FN — CID 146286821

IUPAC1-ethyl-2-(3-fluorohexyl)cyclobutan-1-amine
SMILESCCCC(F)CCC1CCC1(N)CC
InChIInChI=1S/C12H24FN/c1-3-5-11(13)7-6-10-8-9-12(10,14)4-2/h10-11H,3-9,14H2,1-2H3
InChIKeyZRNVNCUHUCUIQS-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.42
Rot. Bonds6

About 1-ethyl-2-(3-fluorohexyl)cyclobutan-1-amine

1-ethyl-2-(3-fluorohexyl)cyclobutan-1-amine (PubChem CID 146286821) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-ethyl-2-(3-fluorohexyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-ethyl-2-(3-fluorohexyl)cyclobutan-1-amine
PubChem CID146286821
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name1-ethyl-2-(3-fluorohexyl)cyclobutan-1-amine
SMILESCCCC(F)CCC1CCC1(N)CC
InChIInChI=1S/C12H24FN/c1-3-5-11(13)7-6-10-8-9-12(10,14)4-2/h10-11H,3-9,14H2,1-2H3
InChIKeyZRNVNCUHUCUIQS-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-fluorohexyl)cyclobutan-1-amine?
The IUPAC name of 1-ethyl-2-(3-fluorohexyl)cyclobutan-1-amine (CID 146286821) is 1-ethyl-2-(3-fluorohexyl)cyclobutan-1-amine.
What is the SMILES notation for 1-ethyl-2-(3-fluorohexyl)cyclobutan-1-amine?
The canonical SMILES for 1-ethyl-2-(3-fluorohexyl)cyclobutan-1-amine is CCCC(F)CCC1CCC1(N)CC.
What is the InChIKey of 1-ethyl-2-(3-fluorohexyl)cyclobutan-1-amine?
The InChIKey is ZRNVNCUHUCUIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-3-5-11(13)7-6-10-8-9-12(10,14)4-2/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 1-ethyl-2-(3-fluorohexyl)cyclobutan-1-amine?
1-ethyl-2-(3-fluorohexyl)cyclobutan-1-amine has a molecular weight of 201.33 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-fluorohexyl)cyclobutan-1-amine is sourced from PubChem (CID 146286821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).