N-(3,4-dimethylcyclohexyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

C15H21F3N2O — CID 64733194

IUPACN-(3,4-dimethylcyclohexyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCC1CCC(Nc2ccc(OCC(F)(F)F)nc2)CC1C
InChIInChI=1S/C15H21F3N2O/c1-10-3-4-12(7-11(10)2)20-13-5-6-14(19-8-13)21-9-15(16,17)18/h5-6,8,10-12,20H,3-4,7,9H2,1-2H3
InChIKeyVMVLJCJBPLLWMJ-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.26
Rot. Bonds4

About N-(3,4-dimethylcyclohexyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

N-(3,4-dimethylcyclohexyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 64733194) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID64733194
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-(3,4-dimethylcyclohexyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCC1CCC(Nc2ccc(OCC(F)(F)F)nc2)CC1C
InChIInChI=1S/C15H21F3N2O/c1-10-3-4-12(7-11(10)2)20-13-5-6-14(19-8-13)21-9-15(16,17)18/h5-6,8,10-12,20H,3-4,7,9H2,1-2H3
InChIKeyVMVLJCJBPLLWMJ-UHFFFAOYSA-N
XLogP4.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 64733194) is N-(3,4-dimethylcyclohexyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is CC1CCC(Nc2ccc(OCC(F)(F)F)nc2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is VMVLJCJBPLLWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10-3-4-12(7-11(10)2)20-13-5-6-14(19-8-13)21-9-15(16,17)18/h5-6,8,10-12,20H,3-4,7,9H2,1-2H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-(3,4-dimethylcyclohexyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 302.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 64733194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).