(6-propan-2-yloxy-2-pyridinyl)methanamine

C9H14N2O — CID 62290163

IUPAC(6-propan-2-yloxy-2-pyridinyl)methanamine
SMILESCC(C)Oc1cccc(CN)n1
InChIInChI=1S/C9H14N2O/c1-7(2)12-9-5-3-4-8(6-10)11-9/h3-5,7H,6,10H2,1-2H3
InChIKeyDVUYYBSTPKNJAR-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.33
Rot. Bonds3

About (6-propan-2-yloxy-2-pyridinyl)methanamine

(6-propan-2-yloxy-2-pyridinyl)methanamine (PubChem CID 62290163) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (6-propan-2-yloxy-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(6-propan-2-yloxy-2-pyridinyl)methanamine
PubChem CID62290163
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(6-propan-2-yloxy-2-pyridinyl)methanamine
SMILESCC(C)Oc1cccc(CN)n1
InChIInChI=1S/C9H14N2O/c1-7(2)12-9-5-3-4-8(6-10)11-9/h3-5,7H,6,10H2,1-2H3
InChIKeyDVUYYBSTPKNJAR-UHFFFAOYSA-N
XLogP1.33
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-propan-2-yloxy-2-pyridinyl)methanamine?
The IUPAC name of (6-propan-2-yloxy-2-pyridinyl)methanamine (CID 62290163) is (6-propan-2-yloxy-2-pyridinyl)methanamine.
What is the SMILES notation for (6-propan-2-yloxy-2-pyridinyl)methanamine?
The canonical SMILES for (6-propan-2-yloxy-2-pyridinyl)methanamine is CC(C)Oc1cccc(CN)n1.
What is the InChIKey of (6-propan-2-yloxy-2-pyridinyl)methanamine?
The InChIKey is DVUYYBSTPKNJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(2)12-9-5-3-4-8(6-10)11-9/h3-5,7H,6,10H2,1-2H3.
What are the key properties of (6-propan-2-yloxy-2-pyridinyl)methanamine?
(6-propan-2-yloxy-2-pyridinyl)methanamine has a molecular weight of 166.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propan-2-yloxy-2-pyridinyl)methanamine is sourced from PubChem (CID 62290163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).