4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine

C13H17F3N2 — CID 73439156

IUPAC4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
SMILESNC1CCC(Cc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)10-3-6-12(18-8-10)7-9-1-4-11(17)5-2-9/h3,6,8-9,11H,1-2,4-5,7,17H2
InChIKeyQILJBROMKNMSBA-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.16
Rot. Bonds2

About 4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine

4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine (PubChem CID 73439156) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
PubChem CID73439156
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
SMILESNC1CCC(Cc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)10-3-6-12(18-8-10)7-9-1-4-11(17)5-2-9/h3,6,8-9,11H,1-2,4-5,7,17H2
InChIKeyQILJBROMKNMSBA-UHFFFAOYSA-N
XLogP3.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]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 4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine (CID 73439156) is 4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine is NC1CCC(Cc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
The InChIKey is QILJBROMKNMSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c14-13(15,16)10-3-6-12(18-8-10)7-9-1-4-11(17)5-2-9/h3,6,8-9,11H,1-2,4-5,7,17H2.
What are the key properties of 4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine has a molecular weight of 258.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 73439156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).