N-ethylethanamine;4-(2-phenylethenyl)pyridine

C17H22N2 — CID 67628430

IUPACN-ethylethanamine;4-(2-phenylethenyl)pyridine
SMILESC(=Cc1ccncc1)c1ccccc1.CCNCC
InChIInChI=1S/C13H11N.C4H11N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;1-3-5-4-2/h1-11H;5H,3-4H2,1-2H3
InChIKeyPFSDDLHYHPFYDD-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.87
Rot. Bonds4

About N-ethylethanamine;4-(2-phenylethenyl)pyridine

N-ethylethanamine;4-(2-phenylethenyl)pyridine (PubChem CID 67628430) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-ethylethanamine;4-(2-phenylethenyl)pyridine.

Molecular Properties

Compound NameN-ethylethanamine;4-(2-phenylethenyl)pyridine
PubChem CID67628430
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-ethylethanamine;4-(2-phenylethenyl)pyridine
SMILESC(=Cc1ccncc1)c1ccccc1.CCNCC
InChIInChI=1S/C13H11N.C4H11N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;1-3-5-4-2/h1-11H;5H,3-4H2,1-2H3
InChIKeyPFSDDLHYHPFYDD-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;4-(2-phenylethenyl)pyridine?
The IUPAC name of N-ethylethanamine;4-(2-phenylethenyl)pyridine (CID 67628430) is N-ethylethanamine;4-(2-phenylethenyl)pyridine.
What is the SMILES notation for N-ethylethanamine;4-(2-phenylethenyl)pyridine?
The canonical SMILES for N-ethylethanamine;4-(2-phenylethenyl)pyridine is C(=Cc1ccncc1)c1ccccc1.CCNCC.
What is the InChIKey of N-ethylethanamine;4-(2-phenylethenyl)pyridine?
The InChIKey is PFSDDLHYHPFYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N.C4H11N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;1-3-5-4-2/h1-11H;5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;4-(2-phenylethenyl)pyridine?
N-ethylethanamine;4-(2-phenylethenyl)pyridine has a molecular weight of 254.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;4-(2-phenylethenyl)pyridine is sourced from PubChem (CID 67628430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).