1-(5-ethynyl-3-pyridinyl)ethanamine

C9H10N2 — CID 74788737

IUPAC1-(5-ethynyl-3-pyridinyl)ethanamine
SMILESC#Cc1cncc(C(C)N)c1
InChIInChI=1S/C9H10N2/c1-3-8-4-9(7(2)10)6-11-5-8/h1,4-7H,10H2,2H3
InChIKeyBPVPFNMRMBCNIL-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.08
Rot. Bonds1

About 1-(5-ethynyl-3-pyridinyl)ethanamine

1-(5-ethynyl-3-pyridinyl)ethanamine (PubChem CID 74788737) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-(5-ethynyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(5-ethynyl-3-pyridinyl)ethanamine
PubChem CID74788737
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name1-(5-ethynyl-3-pyridinyl)ethanamine
SMILESC#Cc1cncc(C(C)N)c1
InChIInChI=1S/C9H10N2/c1-3-8-4-9(7(2)10)6-11-5-8/h1,4-7H,10H2,2H3
InChIKeyBPVPFNMRMBCNIL-UHFFFAOYSA-N
XLogP1.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.08
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 1-(5-ethynyl-3-pyridinyl)ethanamine?
The IUPAC name of 1-(5-ethynyl-3-pyridinyl)ethanamine (CID 74788737) is 1-(5-ethynyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 1-(5-ethynyl-3-pyridinyl)ethanamine?
The canonical SMILES for 1-(5-ethynyl-3-pyridinyl)ethanamine is C#Cc1cncc(C(C)N)c1.
What is the InChIKey of 1-(5-ethynyl-3-pyridinyl)ethanamine?
The InChIKey is BPVPFNMRMBCNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-3-8-4-9(7(2)10)6-11-5-8/h1,4-7H,10H2,2H3.
What are the key properties of 1-(5-ethynyl-3-pyridinyl)ethanamine?
1-(5-ethynyl-3-pyridinyl)ethanamine has a molecular weight of 146.19 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethynyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 74788737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).