2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine

C15H22F3N3 — CID 119043941

IUPAC2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
SMILESCc1cn2c(n1)CCC(NC1CCCC(C(F)(F)F)C1)C2
InChIInChI=1S/C15H22F3N3/c1-10-8-21-9-13(5-6-14(21)19-10)20-12-4-2-3-11(7-12)15(16,17)18/h8,11-13,20H,2-7,9H2,1H3
InChIKeyXMEVCHDLUVYGTH-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.22
Rot. Bonds2

About 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine

2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine (PubChem CID 119043941) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
PubChem CID119043941
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
SMILESCc1cn2c(n1)CCC(NC1CCCC(C(F)(F)F)C1)C2
InChIInChI=1S/C15H22F3N3/c1-10-8-21-9-13(5-6-14(21)19-10)20-12-4-2-3-11(7-12)15(16,17)18/h8,11-13,20H,2-7,9H2,1H3
InChIKeyXMEVCHDLUVYGTH-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
The IUPAC name of 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine (CID 119043941) is 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine is Cc1cn2c(n1)CCC(NC1CCCC(C(F)(F)F)C1)C2.
What is the InChIKey of 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
The InChIKey is XMEVCHDLUVYGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-10-8-21-9-13(5-6-14(21)19-10)20-12-4-2-3-11(7-12)15(16,17)18/h8,11-13,20H,2-7,9H2,1H3.
What are the key properties of 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine has a molecular weight of 301.36 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 119043941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).