2-[(3-methoxycyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine

C15H24N2O2 — CID 103183233

IUPAC2-[(3-methoxycyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine
SMILESCOC1CCCC(OCc2ncc(C)c(N)c2C)C1
InChIInChI=1S/C15H24N2O2/c1-10-8-17-14(11(2)15(10)16)9-19-13-6-4-5-12(7-13)18-3/h8,12-13H,4-7,9H2,1-3H3,(H2,16,17)
InChIKeyISHHMUVERBAYAF-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.75
Rot. Bonds4

About 2-[(3-methoxycyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine

2-[(3-methoxycyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine (PubChem CID 103183233) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(3-methoxycyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-[(3-methoxycyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine
PubChem CID103183233
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[(3-methoxycyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine
SMILESCOC1CCCC(OCc2ncc(C)c(N)c2C)C1
InChIInChI=1S/C15H24N2O2/c1-10-8-17-14(11(2)15(10)16)9-19-13-6-4-5-12(7-13)18-3/h8,12-13H,4-7,9H2,1-3H3,(H2,16,17)
InChIKeyISHHMUVERBAYAF-UHFFFAOYSA-N
XLogP2.75
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine?
The IUPAC name of 2-[(3-methoxycyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine (CID 103183233) is 2-[(3-methoxycyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine.
What is the SMILES notation for 2-[(3-methoxycyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine?
The canonical SMILES for 2-[(3-methoxycyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine is COC1CCCC(OCc2ncc(C)c(N)c2C)C1.
What is the InChIKey of 2-[(3-methoxycyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine?
The InChIKey is ISHHMUVERBAYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-8-17-14(11(2)15(10)16)9-19-13-6-4-5-12(7-13)18-3/h8,12-13H,4-7,9H2,1-3H3,(H2,16,17).
What are the key properties of 2-[(3-methoxycyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine?
2-[(3-methoxycyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine has a molecular weight of 264.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine is sourced from PubChem (CID 103183233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).