2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine

C14H22N2O — CID 79169642

IUPAC2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine
SMILESCc1ccc(OCC2CCCC2)c(CCN)n1
InChIInChI=1S/C14H22N2O/c1-11-6-7-14(13(16-11)8-9-15)17-10-12-4-2-3-5-12/h6-7,12H,2-5,8-10,15H2,1H3
InChIKeyYXOHPRVMGBCZDN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.46
Rot. Bonds5

About 2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine

2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine (PubChem CID 79169642) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine
PubChem CID79169642
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine
SMILESCc1ccc(OCC2CCCC2)c(CCN)n1
InChIInChI=1S/C14H22N2O/c1-11-6-7-14(13(16-11)8-9-15)17-10-12-4-2-3-5-12/h6-7,12H,2-5,8-10,15H2,1H3
InChIKeyYXOHPRVMGBCZDN-UHFFFAOYSA-N
XLogP2.46
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine?
The IUPAC name of 2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine (CID 79169642) is 2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine?
The canonical SMILES for 2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine is Cc1ccc(OCC2CCCC2)c(CCN)n1.
What is the InChIKey of 2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine?
The InChIKey is YXOHPRVMGBCZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-6-7-14(13(16-11)8-9-15)17-10-12-4-2-3-5-12/h6-7,12H,2-5,8-10,15H2,1H3.
What are the key properties of 2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine?
2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine is sourced from PubChem (CID 79169642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).