(5-prop-2-ynoxy-2-pyridinyl)methanamine

C9H10N2O — CID 79776533

IUPAC(5-prop-2-ynoxy-2-pyridinyl)methanamine
SMILESC#CCOc1ccc(CN)nc1
InChIInChI=1S/C9H10N2O/c1-2-5-12-9-4-3-8(6-10)11-7-9/h1,3-4,7H,5-6,10H2
InChIKeyJVWRRQXHVXGFCK-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.55
Rot. Bonds3

About (5-prop-2-ynoxy-2-pyridinyl)methanamine

(5-prop-2-ynoxy-2-pyridinyl)methanamine (PubChem CID 79776533) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (5-prop-2-ynoxy-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-prop-2-ynoxy-2-pyridinyl)methanamine
PubChem CID79776533
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(5-prop-2-ynoxy-2-pyridinyl)methanamine
SMILESC#CCOc1ccc(CN)nc1
InChIInChI=1S/C9H10N2O/c1-2-5-12-9-4-3-8(6-10)11-7-9/h1,3-4,7H,5-6,10H2
InChIKeyJVWRRQXHVXGFCK-UHFFFAOYSA-N
XLogP0.55
TPSA48.14 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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pozanicline
CID 178052
Pyridine, 5-amino-2,3'-oxydi-
CID 2800156
A-85380
CID 5310969
A-84543
CID 9794141
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
2-Fluoro-A-85380
CID 10241442
[3H]methoxy-PEPy
CID 10910934
1-(5-Ethoxypyridin-3-yl)-1,4-diazepane
CID 22053540
3-Amino-2-(4-fluorophenoxy)pyridine
CID 2735921
5-Amino-2-butoxypyridine
CID 68314
6-Phenoxy-3-pyridinamine
CID 212856
2-Fluoro-3-(2S-azetidinylmethoxy)pyridine, F-18
CID 450860

Frequently Asked Questions

What is the IUPAC name of (5-prop-2-ynoxy-2-pyridinyl)methanamine?
The IUPAC name of (5-prop-2-ynoxy-2-pyridinyl)methanamine (CID 79776533) is (5-prop-2-ynoxy-2-pyridinyl)methanamine.
What is the SMILES notation for (5-prop-2-ynoxy-2-pyridinyl)methanamine?
The canonical SMILES for (5-prop-2-ynoxy-2-pyridinyl)methanamine is C#CCOc1ccc(CN)nc1.
What is the InChIKey of (5-prop-2-ynoxy-2-pyridinyl)methanamine?
The InChIKey is JVWRRQXHVXGFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-5-12-9-4-3-8(6-10)11-7-9/h1,3-4,7H,5-6,10H2.
What are the key properties of (5-prop-2-ynoxy-2-pyridinyl)methanamine?
(5-prop-2-ynoxy-2-pyridinyl)methanamine has a molecular weight of 162.19 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-prop-2-ynoxy-2-pyridinyl)methanamine is sourced from PubChem (CID 79776533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).