6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine

C15H21F3N2O — CID 102719671

IUPAC6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(OC2CCCCC2)n1
InChIInChI=1S/C15H21F3N2O/c1-2-8-19-13-9-11(15(16,17)18)10-14(20-13)21-12-6-4-3-5-7-12/h9-10,12H,2-8H2,1H3,(H,19,20)
InChIKeyXVOYEABJXDAZQY-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.63
Rot. Bonds5

About 6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine

6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719671) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719671
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(OC2CCCCC2)n1
InChIInChI=1S/C15H21F3N2O/c1-2-8-19-13-9-11(15(16,17)18)10-14(20-13)21-12-6-4-3-5-7-12/h9-10,12H,2-8H2,1H3,(H,19,20)
InChIKeyXVOYEABJXDAZQY-UHFFFAOYSA-N
XLogP4.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine (CID 102719671) is 6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine is CCCNc1cc(C(F)(F)F)cc(OC2CCCCC2)n1.
What is the InChIKey of 6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XVOYEABJXDAZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-2-8-19-13-9-11(15(16,17)18)10-14(20-13)21-12-6-4-3-5-7-12/h9-10,12H,2-8H2,1H3,(H,19,20).
What are the key properties of 6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 302.34 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).