1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine

C15H24F3N — CID 162578645

IUPAC1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine
SMILESFC(F)(F)C1CCCC=C1CNCC1CCCCC1
InChIInChI=1S/C15H24F3N/c16-15(17,18)14-9-5-4-8-13(14)11-19-10-12-6-2-1-3-7-12/h8,12,14,19H,1-7,9-11H2
InChIKeyNSASMSMYZBUYHR-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.45
Rot. Bonds4

About 1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine

1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine (PubChem CID 162578645) has the molecular formula C15H24F3N and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine
PubChem CID162578645
Molecular FormulaC15H24F3N
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine
SMILESFC(F)(F)C1CCCC=C1CNCC1CCCCC1
InChIInChI=1S/C15H24F3N/c16-15(17,18)14-9-5-4-8-13(14)11-19-10-12-6-2-1-3-7-12/h8,12,14,19H,1-7,9-11H2
InChIKeyNSASMSMYZBUYHR-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine 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 1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine (CID 162578645) is 1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine is FC(F)(F)C1CCCC=C1CNCC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine?
The InChIKey is NSASMSMYZBUYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N/c16-15(17,18)14-9-5-4-8-13(14)11-19-10-12-6-2-1-3-7-12/h8,12,14,19H,1-7,9-11H2.
What are the key properties of 1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine?
1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine has a molecular weight of 275.36 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine is sourced from PubChem (CID 162578645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).