(6-pentan-2-yloxy-3-pyridinyl)methanamine

C11H18N2O — CID 102980166

IUPAC(6-pentan-2-yloxy-3-pyridinyl)methanamine
SMILESCCCC(C)Oc1ccc(CN)cn1
InChIInChI=1S/C11H18N2O/c1-3-4-9(2)14-11-6-5-10(7-12)8-13-11/h5-6,8-9H,3-4,7,12H2,1-2H3
InChIKeyIOBUBHUDYMXJEU-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.11
Rot. Bonds5

About (6-pentan-2-yloxy-3-pyridinyl)methanamine

(6-pentan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 102980166) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (6-pentan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(6-pentan-2-yloxy-3-pyridinyl)methanamine
PubChem CID102980166
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(6-pentan-2-yloxy-3-pyridinyl)methanamine
SMILESCCCC(C)Oc1ccc(CN)cn1
InChIInChI=1S/C11H18N2O/c1-3-4-9(2)14-11-6-5-10(7-12)8-13-11/h5-6,8-9H,3-4,7,12H2,1-2H3
InChIKeyIOBUBHUDYMXJEU-UHFFFAOYSA-N
XLogP2.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-pentan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of (6-pentan-2-yloxy-3-pyridinyl)methanamine (CID 102980166) is (6-pentan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for (6-pentan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for (6-pentan-2-yloxy-3-pyridinyl)methanamine is CCCC(C)Oc1ccc(CN)cn1.
What is the InChIKey of (6-pentan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is IOBUBHUDYMXJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-9(2)14-11-6-5-10(7-12)8-13-11/h5-6,8-9H,3-4,7,12H2,1-2H3.
What are the key properties of (6-pentan-2-yloxy-3-pyridinyl)methanamine?
(6-pentan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 194.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-pentan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 102980166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).