1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine

C17H26N2 — CID 66446045

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
SMILESCCNC(C(C)c1ccccn1)C1CC2CCC1C2
InChIInChI=1S/C17H26N2/c1-3-18-17(12(2)16-6-4-5-9-19-16)15-11-13-7-8-14(15)10-13/h4-6,9,12-15,17-18H,3,7-8,10-11H2,1-2H3
InChIKeyXJGZAUWVLWYXHV-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.60
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine (PubChem CID 66446045) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
PubChem CID66446045
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
SMILESCCNC(C(C)c1ccccn1)C1CC2CCC1C2
InChIInChI=1S/C17H26N2/c1-3-18-17(12(2)16-6-4-5-9-19-16)15-11-13-7-8-14(15)10-13/h4-6,9,12-15,17-18H,3,7-8,10-11H2,1-2H3
InChIKeyXJGZAUWVLWYXHV-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine (CID 66446045) is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine is CCNC(C(C)c1ccccn1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine?
The InChIKey is XJGZAUWVLWYXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-18-17(12(2)16-6-4-5-9-19-16)15-11-13-7-8-14(15)10-13/h4-6,9,12-15,17-18H,3,7-8,10-11H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 66446045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).