[2-(2-cyclopropylethynyl)-3-pyridinyl]methanamine

C11H12N2 — CID 122242222

IUPAC[2-(2-cyclopropylethynyl)-3-pyridinyl]methanamine
SMILESNCc1cccnc1C#CC1CC1
InChIInChI=1S/C11H12N2/c12-8-10-2-1-7-13-11(10)6-5-9-3-4-9/h1-2,7,9H,3-4,8,12H2
InChIKeyAZZFRKXFAJIKAR-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.30
Rot. Bonds1

About [2-(2-cyclopropylethynyl)-3-pyridinyl]methanamine

[2-(2-cyclopropylethynyl)-3-pyridinyl]methanamine (PubChem CID 122242222) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is [2-(2-cyclopropylethynyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2-cyclopropylethynyl)-3-pyridinyl]methanamine
PubChem CID122242222
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name[2-(2-cyclopropylethynyl)-3-pyridinyl]methanamine
SMILESNCc1cccnc1C#CC1CC1
InChIInChI=1S/C11H12N2/c12-8-10-2-1-7-13-11(10)6-5-9-3-4-9/h1-2,7,9H,3-4,8,12H2
InChIKeyAZZFRKXFAJIKAR-UHFFFAOYSA-N
XLogP1.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-cyclopropylethynyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(2-cyclopropylethynyl)-3-pyridinyl]methanamine (CID 122242222) is [2-(2-cyclopropylethynyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(2-cyclopropylethynyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(2-cyclopropylethynyl)-3-pyridinyl]methanamine is NCc1cccnc1C#CC1CC1.
What is the InChIKey of [2-(2-cyclopropylethynyl)-3-pyridinyl]methanamine?
The InChIKey is AZZFRKXFAJIKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c12-8-10-2-1-7-13-11(10)6-5-9-3-4-9/h1-2,7,9H,3-4,8,12H2.
What are the key properties of [2-(2-cyclopropylethynyl)-3-pyridinyl]methanamine?
[2-(2-cyclopropylethynyl)-3-pyridinyl]methanamine has a molecular weight of 172.23 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyclopropylethynyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 122242222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).