2-(3-cycloheptyloxy-6-methyl-2-pyridinyl)ethanamine

C15H24N2O — CID 82930493

IUPAC2-(3-cycloheptyloxy-6-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(OC2CCCCCC2)c(CCN)n1
InChIInChI=1S/C15H24N2O/c1-12-8-9-15(14(17-12)10-11-16)18-13-6-4-2-3-5-7-13/h8-9,13H,2-7,10-11,16H2,1H3
InChIKeyQMELJBWOFYNNBS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.99
Rot. Bonds4

About 2-(3-cycloheptyloxy-6-methyl-2-pyridinyl)ethanamine

2-(3-cycloheptyloxy-6-methyl-2-pyridinyl)ethanamine (PubChem CID 82930493) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(3-cycloheptyloxy-6-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-cycloheptyloxy-6-methyl-2-pyridinyl)ethanamine
PubChem CID82930493
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(3-cycloheptyloxy-6-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(OC2CCCCCC2)c(CCN)n1
InChIInChI=1S/C15H24N2O/c1-12-8-9-15(14(17-12)10-11-16)18-13-6-4-2-3-5-7-13/h8-9,13H,2-7,10-11,16H2,1H3
InChIKeyQMELJBWOFYNNBS-UHFFFAOYSA-N
XLogP2.99
TPSA48.14 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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cycloheptyloxy-6-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 2-(3-cycloheptyloxy-6-methyl-2-pyridinyl)ethanamine (CID 82930493) is 2-(3-cycloheptyloxy-6-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-cycloheptyloxy-6-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-cycloheptyloxy-6-methyl-2-pyridinyl)ethanamine is Cc1ccc(OC2CCCCCC2)c(CCN)n1.
What is the InChIKey of 2-(3-cycloheptyloxy-6-methyl-2-pyridinyl)ethanamine?
The InChIKey is QMELJBWOFYNNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-8-9-15(14(17-12)10-11-16)18-13-6-4-2-3-5-7-13/h8-9,13H,2-7,10-11,16H2,1H3.
What are the key properties of 2-(3-cycloheptyloxy-6-methyl-2-pyridinyl)ethanamine?
2-(3-cycloheptyloxy-6-methyl-2-pyridinyl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cycloheptyloxy-6-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 82930493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).