1-(6-fluoro-5-methylcyclohex-2-en-1-yl)ethanamine

C9H16FN — CID 166735001

IUPAC1-(6-fluoro-5-methylcyclohex-2-en-1-yl)ethanamine
SMILESCC(N)C1C=CCC(C)C1F
InChIInChI=1S/C9H16FN/c1-6-4-3-5-8(7(2)11)9(6)10/h3,5-9H,4,11H2,1-2H3
InChIKeyCSRBVFYCNGXTEE-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.88
Rot. Bonds1

About 1-(6-fluoro-5-methylcyclohex-2-en-1-yl)ethanamine

1-(6-fluoro-5-methylcyclohex-2-en-1-yl)ethanamine (PubChem CID 166735001) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-(6-fluoro-5-methylcyclohex-2-en-1-yl)ethanamine.

Molecular Properties

Compound Name1-(6-fluoro-5-methylcyclohex-2-en-1-yl)ethanamine
PubChem CID166735001
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name1-(6-fluoro-5-methylcyclohex-2-en-1-yl)ethanamine
SMILESCC(N)C1C=CCC(C)C1F
InChIInChI=1S/C9H16FN/c1-6-4-3-5-8(7(2)11)9(6)10/h3,5-9H,4,11H2,1-2H3
InChIKeyCSRBVFYCNGXTEE-UHFFFAOYSA-N
XLogP1.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-5-methylcyclohex-2-en-1-yl)ethanamine?
The IUPAC name of 1-(6-fluoro-5-methylcyclohex-2-en-1-yl)ethanamine (CID 166735001) is 1-(6-fluoro-5-methylcyclohex-2-en-1-yl)ethanamine.
What is the SMILES notation for 1-(6-fluoro-5-methylcyclohex-2-en-1-yl)ethanamine?
The canonical SMILES for 1-(6-fluoro-5-methylcyclohex-2-en-1-yl)ethanamine is CC(N)C1C=CCC(C)C1F.
What is the InChIKey of 1-(6-fluoro-5-methylcyclohex-2-en-1-yl)ethanamine?
The InChIKey is CSRBVFYCNGXTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-6-4-3-5-8(7(2)11)9(6)10/h3,5-9H,4,11H2,1-2H3.
What are the key properties of 1-(6-fluoro-5-methylcyclohex-2-en-1-yl)ethanamine?
1-(6-fluoro-5-methylcyclohex-2-en-1-yl)ethanamine has a molecular weight of 157.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-5-methylcyclohex-2-en-1-yl)ethanamine is sourced from PubChem (CID 166735001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).