cyclohepten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine

C15H24F3N — CID 106657070

IUPACcyclohepten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(C1=CCCCCC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H24F3N/c16-15(17,18)13-9-5-8-12(10-13)14(19)11-6-3-1-2-4-7-11/h6,12-14H,1-5,7-10,19H2
InChIKeyGSJMZIJGPJHRTK-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.57
Rot. Bonds2

About cyclohepten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine

cyclohepten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 106657070) has the molecular formula C15H24F3N and a molecular weight of 275.36 g/mol. Its IUPAC name is cyclohepten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Namecyclohepten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID106657070
Molecular FormulaC15H24F3N
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Namecyclohepten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(C1=CCCCCC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H24F3N/c16-15(17,18)13-9-5-8-12(10-13)14(19)11-6-3-1-2-4-7-11/h6,12-14H,1-5,7-10,19H2
InChIKeyGSJMZIJGPJHRTK-UHFFFAOYSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohepten-1-yl(cyclopentyl)methanamine
CID 62079813
cyclohepten-1-yl(cyclooctyl)methanamine
CID 65018804
cyclohepten-1-yl-(3-methylcyclohexyl)methanamine
CID 106652734
cyclohexyl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105079907
cyclohexen-1-yl(oxan-3-yl)methanamine
CID 63013990
(2,5-difluorophenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105143945
(3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane
CID 146632246
cyclohepten-1-yl(cyclopentyl)methanol
CID 62078752
(2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 103397393
(3-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105187981
2-[3-(trifluoromethyl)cyclohexyl]propanedioic acid
CID 22715203
oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105147261

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of cyclohepten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine (CID 106657070) is cyclohepten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for cyclohepten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for cyclohepten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine is NC(C1=CCCCCC1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of cyclohepten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is GSJMZIJGPJHRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N/c16-15(17,18)13-9-5-8-12(10-13)14(19)11-6-3-1-2-4-7-11/h6,12-14H,1-5,7-10,19H2.
What are the key properties of cyclohepten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine?
cyclohepten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 275.36 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 106657070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).