2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine

C15H24N2O — CID 79259512

IUPAC2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine
SMILESCNc1ccnc(COC2CC(C)CC(C)C2)c1
InChIInChI=1S/C15H24N2O/c1-11-6-12(2)8-15(7-11)18-10-14-9-13(16-3)4-5-17-14/h4-5,9,11-12,15H,6-8,10H2,1-3H3,(H,16,17)
InChIKeyORNYWADYGQQGEK-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.46
Rot. Bonds4

About 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine

2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine (PubChem CID 79259512) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine
PubChem CID79259512
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine
SMILESCNc1ccnc(COC2CC(C)CC(C)C2)c1
InChIInChI=1S/C15H24N2O/c1-11-6-12(2)8-15(7-11)18-10-14-9-13(16-3)4-5-17-14/h4-5,9,11-12,15H,6-8,10H2,1-3H3,(H,16,17)
InChIKeyORNYWADYGQQGEK-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine?
The IUPAC name of 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine (CID 79259512) is 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine?
The canonical SMILES for 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine is CNc1ccnc(COC2CC(C)CC(C)C2)c1.
What is the InChIKey of 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine?
The InChIKey is ORNYWADYGQQGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-12(2)8-15(7-11)18-10-14-9-13(16-3)4-5-17-14/h4-5,9,11-12,15H,6-8,10H2,1-3H3,(H,16,17).
What are the key properties of 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine?
2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 79259512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).