N-ethyl-2-pyridin-3-ylethanamine

C9H14N2 — CID 23273463

IUPACN-ethyl-2-pyridin-3-ylethanamine
SMILESCCNCCc1cccnc1
InChIInChI=1S/C9H14N2/c1-2-10-7-5-9-4-3-6-11-8-9/h3-4,6,8,10H,2,5,7H2,1H3
InChIKeyBLMSDGDROBLBIR-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.23
Rot. Bonds4

About N-ethyl-2-pyridin-3-ylethanamine

N-ethyl-2-pyridin-3-ylethanamine (PubChem CID 23273463) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-ethyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-pyridin-3-ylethanamine
PubChem CID23273463
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-ethyl-2-pyridin-3-ylethanamine
SMILESCCNCCc1cccnc1
InChIInChI=1S/C9H14N2/c1-2-10-7-5-9-4-3-6-11-8-9/h3-4,6,8,10H,2,5,7H2,1H3
InChIKeyBLMSDGDROBLBIR-UHFFFAOYSA-N
XLogP1.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-ethyl-2-pyridin-3-ylethanamine?
The IUPAC name of N-ethyl-2-pyridin-3-ylethanamine (CID 23273463) is N-ethyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-ethyl-2-pyridin-3-ylethanamine?
The canonical SMILES for N-ethyl-2-pyridin-3-ylethanamine is CCNCCc1cccnc1.
What is the InChIKey of N-ethyl-2-pyridin-3-ylethanamine?
The InChIKey is BLMSDGDROBLBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-10-7-5-9-4-3-6-11-8-9/h3-4,6,8,10H,2,5,7H2,1H3.
What are the key properties of N-ethyl-2-pyridin-3-ylethanamine?
N-ethyl-2-pyridin-3-ylethanamine has a molecular weight of 150.22 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 23273463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).