2-propoxy-6-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine

C17H28N2O2 — CID 43262452

IUPAC2-propoxy-6-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine
SMILESCCCOc1nc(OC2CC(C)CC(C)(C)C2)ccc1N
InChIInChI=1S/C17H28N2O2/c1-5-8-20-16-14(18)6-7-15(19-16)21-13-9-12(2)10-17(3,4)11-13/h6-7,12-13H,5,8-11,18H2,1-4H3
InChIKeyDKYNKSJXCKFECQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.05
Rot. Bonds5

About 2-propoxy-6-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine

2-propoxy-6-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine (PubChem CID 43262452) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-propoxy-6-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine.

Molecular Properties

Compound Name2-propoxy-6-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine
PubChem CID43262452
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-propoxy-6-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine
SMILESCCCOc1nc(OC2CC(C)CC(C)(C)C2)ccc1N
InChIInChI=1S/C17H28N2O2/c1-5-8-20-16-14(18)6-7-15(19-16)21-13-9-12(2)10-17(3,4)11-13/h6-7,12-13H,5,8-11,18H2,1-4H3
InChIKeyDKYNKSJXCKFECQ-UHFFFAOYSA-N
XLogP4.05
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-6-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine?
The IUPAC name of 2-propoxy-6-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine (CID 43262452) is 2-propoxy-6-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine.
What is the SMILES notation for 2-propoxy-6-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine?
The canonical SMILES for 2-propoxy-6-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine is CCCOc1nc(OC2CC(C)CC(C)(C)C2)ccc1N.
What is the InChIKey of 2-propoxy-6-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine?
The InChIKey is DKYNKSJXCKFECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-8-20-16-14(18)6-7-15(19-16)21-13-9-12(2)10-17(3,4)11-13/h6-7,12-13H,5,8-11,18H2,1-4H3.
What are the key properties of 2-propoxy-6-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine?
2-propoxy-6-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine has a molecular weight of 292.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-6-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine is sourced from PubChem (CID 43262452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).