1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine

C15H24N2O — CID 83123383

IUPAC1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCC2CCCCC2)cn1
InChIInChI=1S/C15H24N2O/c1-12(16-2)15-9-8-14(10-17-15)18-11-13-6-4-3-5-7-13/h8-10,12-13,16H,3-7,11H2,1-2H3
InChIKeyZMJDSZMANPPJHH-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.32
Rot. Bonds5

About 1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine

1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine (PubChem CID 83123383) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine
PubChem CID83123383
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCC2CCCCC2)cn1
InChIInChI=1S/C15H24N2O/c1-12(16-2)15-9-8-14(10-17-15)18-11-13-6-4-3-5-7-13/h8-10,12-13,16H,3-7,11H2,1-2H3
InChIKeyZMJDSZMANPPJHH-UHFFFAOYSA-N
XLogP3.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine?
The IUPAC name of 1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine (CID 83123383) is 1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine?
The canonical SMILES for 1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine is CNC(C)c1ccc(OCC2CCCCC2)cn1.
What is the InChIKey of 1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine?
The InChIKey is ZMJDSZMANPPJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(16-2)15-9-8-14(10-17-15)18-11-13-6-4-3-5-7-13/h8-10,12-13,16H,3-7,11H2,1-2H3.
What are the key properties of 1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine?
1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine has a molecular weight of 248.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine is sourced from PubChem (CID 83123383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).