5-methyl-3-(propoxymethyl)pyridin-2-amine

C10H16N2O — CID 79569068

IUPAC5-methyl-3-(propoxymethyl)pyridin-2-amine
SMILESCCCOCc1cc(C)cnc1N
InChIInChI=1S/C10H16N2O/c1-3-4-13-7-9-5-8(2)6-12-10(9)11/h5-6H,3-4,7H2,1-2H3,(H2,11,12)
InChIKeyVVHXMQWKLRPWPZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.90
Rot. Bonds4

About 5-methyl-3-(propoxymethyl)pyridin-2-amine

5-methyl-3-(propoxymethyl)pyridin-2-amine (PubChem CID 79569068) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-methyl-3-(propoxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-3-(propoxymethyl)pyridin-2-amine
PubChem CID79569068
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-methyl-3-(propoxymethyl)pyridin-2-amine
SMILESCCCOCc1cc(C)cnc1N
InChIInChI=1S/C10H16N2O/c1-3-4-13-7-9-5-8(2)6-12-10(9)11/h5-6H,3-4,7H2,1-2H3,(H2,11,12)
InChIKeyVVHXMQWKLRPWPZ-UHFFFAOYSA-N
XLogP1.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(propoxymethyl)pyridin-2-amine?
The IUPAC name of 5-methyl-3-(propoxymethyl)pyridin-2-amine (CID 79569068) is 5-methyl-3-(propoxymethyl)pyridin-2-amine.
What is the SMILES notation for 5-methyl-3-(propoxymethyl)pyridin-2-amine?
The canonical SMILES for 5-methyl-3-(propoxymethyl)pyridin-2-amine is CCCOCc1cc(C)cnc1N.
What is the InChIKey of 5-methyl-3-(propoxymethyl)pyridin-2-amine?
The InChIKey is VVHXMQWKLRPWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-4-13-7-9-5-8(2)6-12-10(9)11/h5-6H,3-4,7H2,1-2H3,(H2,11,12).
What are the key properties of 5-methyl-3-(propoxymethyl)pyridin-2-amine?
5-methyl-3-(propoxymethyl)pyridin-2-amine has a molecular weight of 180.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(propoxymethyl)pyridin-2-amine is sourced from PubChem (CID 79569068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).