[1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine

C14H23F3N2 — CID 64759639

IUPAC[1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1(N2CC3CCC2C3)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)11-2-1-5-13(7-11,9-18)19-8-10-3-4-12(19)6-10/h10-12H,1-9,18H2
InChIKeyIFLFVBISOJUALP-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.92
Rot. Bonds2

About [1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine

[1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 64759639) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is [1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID64759639
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name[1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1(N2CC3CCC2C3)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)11-2-1-5-13(7-11,9-18)19-8-10-3-4-12(19)6-10/h10-12H,1-9,18H2
InChIKeyIFLFVBISOJUALP-UHFFFAOYSA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine (CID 64759639) is [1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine is NCC1(N2CC3CCC2C3)CCCC(C(F)(F)F)C1.
What is the InChIKey of [1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is IFLFVBISOJUALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c15-14(16,17)11-2-1-5-13(7-11,9-18)19-8-10-3-4-12(19)6-10/h10-12H,1-9,18H2.
What are the key properties of [1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
[1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 276.35 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 64759639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).