2-methyl-N-prop-2-ynoxypyridin-4-amine

C9H10N2O — CID 130697695

IUPAC2-methyl-N-prop-2-ynoxypyridin-4-amine
SMILESC#CCONc1ccnc(C)c1
InChIInChI=1S/C9H10N2O/c1-3-6-12-11-9-4-5-10-8(2)7-9/h1,4-5,7H,6H2,2H3,(H,10,11)
InChIKeyCGBGFZXNSBQDQS-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.37
Rot. Bonds3

About 2-methyl-N-prop-2-ynoxypyridin-4-amine

2-methyl-N-prop-2-ynoxypyridin-4-amine (PubChem CID 130697695) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-methyl-N-prop-2-ynoxypyridin-4-amine.

Molecular Properties

Compound Name2-methyl-N-prop-2-ynoxypyridin-4-amine
PubChem CID130697695
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-methyl-N-prop-2-ynoxypyridin-4-amine
SMILESC#CCONc1ccnc(C)c1
InChIInChI=1S/C9H10N2O/c1-3-6-12-11-9-4-5-10-8(2)7-9/h1,4-5,7H,6H2,2H3,(H,10,11)
InChIKeyCGBGFZXNSBQDQS-UHFFFAOYSA-N
XLogP1.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-ynoxypyridin-4-amine?
The IUPAC name of 2-methyl-N-prop-2-ynoxypyridin-4-amine (CID 130697695) is 2-methyl-N-prop-2-ynoxypyridin-4-amine.
What is the SMILES notation for 2-methyl-N-prop-2-ynoxypyridin-4-amine?
The canonical SMILES for 2-methyl-N-prop-2-ynoxypyridin-4-amine is C#CCONc1ccnc(C)c1.
What is the InChIKey of 2-methyl-N-prop-2-ynoxypyridin-4-amine?
The InChIKey is CGBGFZXNSBQDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-3-6-12-11-9-4-5-10-8(2)7-9/h1,4-5,7H,6H2,2H3,(H,10,11).
What are the key properties of 2-methyl-N-prop-2-ynoxypyridin-4-amine?
2-methyl-N-prop-2-ynoxypyridin-4-amine has a molecular weight of 162.19 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-ynoxypyridin-4-amine is sourced from PubChem (CID 130697695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).