(1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine

C15H24N2O — CID 83123467

IUPAC(1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine
SMILESCC1CCC(Oc2ccc([C@@H](C)N)nc2)CC1C
InChIInChI=1S/C15H24N2O/c1-10-4-5-13(8-11(10)2)18-14-6-7-15(12(3)16)17-9-14/h6-7,9-13H,4-5,8,16H2,1-3H3/t10?,11?,12-,13?/m1/s1
InChIKeyHOMDLCUNAVONSG-AYNROABZSA-N
MW248.37 g/mol
LogP3.30
Rot. Bonds3

About (1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine

(1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine (PubChem CID 83123467) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine
PubChem CID83123467
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine
SMILESCC1CCC(Oc2ccc([C@@H](C)N)nc2)CC1C
InChIInChI=1S/C15H24N2O/c1-10-4-5-13(8-11(10)2)18-14-6-7-15(12(3)16)17-9-14/h6-7,9-13H,4-5,8,16H2,1-3H3/t10?,11?,12-,13?/m1/s1
InChIKeyHOMDLCUNAVONSG-AYNROABZSA-N
XLogP3.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine (CID 83123467) is (1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine is CC1CCC(Oc2ccc([C@@H](C)N)nc2)CC1C.
What is the InChIKey of (1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine?
The InChIKey is HOMDLCUNAVONSG-AYNROABZSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-4-5-13(8-11(10)2)18-14-6-7-15(12(3)16)17-9-14/h6-7,9-13H,4-5,8,16H2,1-3H3/t10?,11?,12-,13?/m1/s1.
What are the key properties of (1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine?
(1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).