[6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine

C12H20N2O — CID 106908718

IUPAC[6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine
SMILESCCCC(C)OCc1cccc(CN)n1
InChIInChI=1S/C12H20N2O/c1-3-5-10(2)15-9-12-7-4-6-11(8-13)14-12/h4,6-7,10H,3,5,8-9,13H2,1-2H3
InChIKeySZDFUFKTISCIOP-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.25
Rot. Bonds6

About [6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine

[6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine (PubChem CID 106908718) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is [6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine
PubChem CID106908718
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name[6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine
SMILESCCCC(C)OCc1cccc(CN)n1
InChIInChI=1S/C12H20N2O/c1-3-5-10(2)15-9-12-7-4-6-11(8-13)14-12/h4,6-7,10H,3,5,8-9,13H2,1-2H3
InChIKeySZDFUFKTISCIOP-UHFFFAOYSA-N
XLogP2.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine?
The IUPAC name of [6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine (CID 106908718) is [6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine is CCCC(C)OCc1cccc(CN)n1.
What is the InChIKey of [6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine?
The InChIKey is SZDFUFKTISCIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-5-10(2)15-9-12-7-4-6-11(8-13)14-12/h4,6-7,10H,3,5,8-9,13H2,1-2H3.
What are the key properties of [6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine?
[6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine has a molecular weight of 208.31 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 106908718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).