(3,5-diethoxy-4-pyridinyl)methanamine

C10H16N2O2 — CID 10445774

IUPAC(3,5-diethoxy-4-pyridinyl)methanamine
SMILESCCOc1cncc(OCC)c1CN
InChIInChI=1S/C10H16N2O2/c1-3-13-9-6-12-7-10(14-4-2)8(9)5-11/h6-7H,3-5,11H2,1-2H3
InChIKeyDBPIEYLNXRQNRY-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.34
Rot. Bonds5

About (3,5-diethoxy-4-pyridinyl)methanamine

(3,5-diethoxy-4-pyridinyl)methanamine (PubChem CID 10445774) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (3,5-diethoxy-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(3,5-diethoxy-4-pyridinyl)methanamine
PubChem CID10445774
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(3,5-diethoxy-4-pyridinyl)methanamine
SMILESCCOc1cncc(OCC)c1CN
InChIInChI=1S/C10H16N2O2/c1-3-13-9-6-12-7-10(14-4-2)8(9)5-11/h6-7H,3-5,11H2,1-2H3
InChIKeyDBPIEYLNXRQNRY-UHFFFAOYSA-N
XLogP1.34
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-diethoxy-4-pyridinyl)methanamine?
The IUPAC name of (3,5-diethoxy-4-pyridinyl)methanamine (CID 10445774) is (3,5-diethoxy-4-pyridinyl)methanamine.
What is the SMILES notation for (3,5-diethoxy-4-pyridinyl)methanamine?
The canonical SMILES for (3,5-diethoxy-4-pyridinyl)methanamine is CCOc1cncc(OCC)c1CN.
What is the InChIKey of (3,5-diethoxy-4-pyridinyl)methanamine?
The InChIKey is DBPIEYLNXRQNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-13-9-6-12-7-10(14-4-2)8(9)5-11/h6-7H,3-5,11H2,1-2H3.
What are the key properties of (3,5-diethoxy-4-pyridinyl)methanamine?
(3,5-diethoxy-4-pyridinyl)methanamine has a molecular weight of 196.25 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diethoxy-4-pyridinyl)methanamine is sourced from PubChem (CID 10445774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).