N-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine

C11H18F3N — CID 163500206

IUPACN-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine
SMILESCCNC[C@@H]1C=C(C(F)(F)F)CC[C@@H]1C
InChIInChI=1S/C11H18F3N/c1-3-15-7-9-6-10(11(12,13)14)5-4-8(9)2/h6,8-9,15H,3-5,7H2,1-2H3/t8-,9-/m0/s1
InChIKeyCUBXFVZYGOILCY-IUCAKERBSA-N
MW221.27 g/mol
LogP3.13
Rot. Bonds3

About N-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine

N-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine (PubChem CID 163500206) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is N-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine
PubChem CID163500206
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC NameN-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine
SMILESCCNC[C@@H]1C=C(C(F)(F)F)CC[C@@H]1C
InChIInChI=1S/C11H18F3N/c1-3-15-7-9-6-10(11(12,13)14)5-4-8(9)2/h6,8-9,15H,3-5,7H2,1-2H3/t8-,9-/m0/s1
InChIKeyCUBXFVZYGOILCY-IUCAKERBSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.13
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 N-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine?
The IUPAC name of N-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine (CID 163500206) is N-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine.
What is the SMILES notation for N-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine?
The canonical SMILES for N-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine is CCNC[C@@H]1C=C(C(F)(F)F)CC[C@@H]1C.
What is the InChIKey of N-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine?
The InChIKey is CUBXFVZYGOILCY-IUCAKERBSA-N. The full InChI is InChI=1S/C11H18F3N/c1-3-15-7-9-6-10(11(12,13)14)5-4-8(9)2/h6,8-9,15H,3-5,7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of N-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine?
N-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine has a molecular weight of 221.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine is sourced from PubChem (CID 163500206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).