2-ethyl-5-(5-methyl-3-pyridinyl)-2-azabicyclo[2.2.1]hept-5-ene

C14H18N2 — CID 177350864

IUPAC2-ethyl-5-(5-methyl-3-pyridinyl)-2-azabicyclo[2.2.1]hept-5-ene
SMILESCCN1CC2CC1C=C2c1cncc(C)c1
InChIInChI=1S/C14H18N2/c1-3-16-9-12-5-13(16)6-14(12)11-4-10(2)7-15-8-11/h4,6-8,12-13H,3,5,9H2,1-2H3
InChIKeyBNWVSTDSDWSFJB-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.50
Rot. Bonds2

About 2-ethyl-5-(5-methyl-3-pyridinyl)-2-azabicyclo[2.2.1]hept-5-ene

2-ethyl-5-(5-methyl-3-pyridinyl)-2-azabicyclo[2.2.1]hept-5-ene (PubChem CID 177350864) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-ethyl-5-(5-methyl-3-pyridinyl)-2-azabicyclo[2.2.1]hept-5-ene.

Molecular Properties

Compound Name2-ethyl-5-(5-methyl-3-pyridinyl)-2-azabicyclo[2.2.1]hept-5-ene
PubChem CID177350864
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-ethyl-5-(5-methyl-3-pyridinyl)-2-azabicyclo[2.2.1]hept-5-ene
SMILESCCN1CC2CC1C=C2c1cncc(C)c1
InChIInChI=1S/C14H18N2/c1-3-16-9-12-5-13(16)6-14(12)11-4-10(2)7-15-8-11/h4,6-8,12-13H,3,5,9H2,1-2H3
InChIKeyBNWVSTDSDWSFJB-UHFFFAOYSA-N
XLogP2.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(5-methyl-3-pyridinyl)-2-azabicyclo[2.2.1]hept-5-ene?
The IUPAC name of 2-ethyl-5-(5-methyl-3-pyridinyl)-2-azabicyclo[2.2.1]hept-5-ene (CID 177350864) is 2-ethyl-5-(5-methyl-3-pyridinyl)-2-azabicyclo[2.2.1]hept-5-ene.
What is the SMILES notation for 2-ethyl-5-(5-methyl-3-pyridinyl)-2-azabicyclo[2.2.1]hept-5-ene?
The canonical SMILES for 2-ethyl-5-(5-methyl-3-pyridinyl)-2-azabicyclo[2.2.1]hept-5-ene is CCN1CC2CC1C=C2c1cncc(C)c1.
What is the InChIKey of 2-ethyl-5-(5-methyl-3-pyridinyl)-2-azabicyclo[2.2.1]hept-5-ene?
The InChIKey is BNWVSTDSDWSFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-16-9-12-5-13(16)6-14(12)11-4-10(2)7-15-8-11/h4,6-8,12-13H,3,5,9H2,1-2H3.
What are the key properties of 2-ethyl-5-(5-methyl-3-pyridinyl)-2-azabicyclo[2.2.1]hept-5-ene?
2-ethyl-5-(5-methyl-3-pyridinyl)-2-azabicyclo[2.2.1]hept-5-ene has a molecular weight of 214.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(5-methyl-3-pyridinyl)-2-azabicyclo[2.2.1]hept-5-ene is sourced from PubChem (CID 177350864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).