(4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine

C13H20FN — CID 118616262

IUPAC(4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine
SMILESCC1=C(NC2C=C[C@@H](F)C(C)C2)CCC1
InChIInChI=1S/C13H20FN/c1-9-4-3-5-13(9)15-11-6-7-12(14)10(2)8-11/h6-7,10-12,15H,3-5,8H2,1-2H3/t10?,11?,12-/m1/s1
InChIKeyYBNABJCTSCXOGQ-HTAVTVPLSA-N
MW209.31 g/mol
LogP3.34
Rot. Bonds2

About (4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine

(4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine (PubChem CID 118616262) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is (4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name(4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine
PubChem CID118616262
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name(4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine
SMILESCC1=C(NC2C=C[C@@H](F)C(C)C2)CCC1
InChIInChI=1S/C13H20FN/c1-9-4-3-5-13(9)15-11-6-7-12(14)10(2)8-11/h6-7,10-12,15H,3-5,8H2,1-2H3/t10?,11?,12-/m1/s1
InChIKeyYBNABJCTSCXOGQ-HTAVTVPLSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.34
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 (4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine?
The IUPAC name of (4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine (CID 118616262) is (4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine.
What is the SMILES notation for (4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine?
The canonical SMILES for (4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine is CC1=C(NC2C=C[C@@H](F)C(C)C2)CCC1.
What is the InChIKey of (4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine?
The InChIKey is YBNABJCTSCXOGQ-HTAVTVPLSA-N. The full InChI is InChI=1S/C13H20FN/c1-9-4-3-5-13(9)15-11-6-7-12(14)10(2)8-11/h6-7,10-12,15H,3-5,8H2,1-2H3/t10?,11?,12-/m1/s1.
What are the key properties of (4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine?
(4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine is sourced from PubChem (CID 118616262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).