N-(cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C15H24F3NO — CID 43435227

IUPACN-(cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCC2CC=CCC2)C1
InChIInChI=1S/C15H24F3NO/c16-15(17,18)11-20-14-8-4-7-13(9-14)19-10-12-5-2-1-3-6-12/h1-2,12-14,19H,3-11H2
InChIKeyLATYKMPMBFTZSX-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.82
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43435227) has the molecular formula C15H24F3NO and a molecular weight of 291.36 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43435227
Molecular FormulaC15H24F3NO
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCC2CC=CCC2)C1
InChIInChI=1S/C15H24F3NO/c16-15(17,18)11-20-14-8-4-7-13(9-14)19-10-12-5-2-1-3-6-12/h1-2,12-14,19H,3-11H2
InChIKeyLATYKMPMBFTZSX-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43435227) is N-(cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is FC(F)(F)COC1CCCC(NCC2CC=CCC2)C1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is LATYKMPMBFTZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO/c16-15(17,18)11-20-14-8-4-7-13(9-14)19-10-12-5-2-1-3-6-12/h1-2,12-14,19H,3-11H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 291.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43435227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).