4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine

C14H22N2O — CID 113368158

IUPAC4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine
SMILESCCC1CCCC(Oc2ccnc(NC)c2)C1
InChIInChI=1S/C14H22N2O/c1-3-11-5-4-6-12(9-11)17-13-7-8-16-14(10-13)15-2/h7-8,10-12H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyYTTFTBOJROREAM-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.47
Rot. Bonds4

About 4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine

4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine (PubChem CID 113368158) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine
PubChem CID113368158
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine
SMILESCCC1CCCC(Oc2ccnc(NC)c2)C1
InChIInChI=1S/C14H22N2O/c1-3-11-5-4-6-12(9-11)17-13-7-8-16-14(10-13)15-2/h7-8,10-12H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyYTTFTBOJROREAM-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine?
The IUPAC name of 4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine (CID 113368158) is 4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine?
The canonical SMILES for 4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine is CCC1CCCC(Oc2ccnc(NC)c2)C1.
What is the InChIKey of 4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine?
The InChIKey is YTTFTBOJROREAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-11-5-4-6-12(9-11)17-13-7-8-16-14(10-13)15-2/h7-8,10-12H,3-6,9H2,1-2H3,(H,15,16).
What are the key properties of 4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine?
4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine has a molecular weight of 234.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine is sourced from PubChem (CID 113368158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).