(1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptane

C8H15N — CID 89142310

IUPAC(1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptane
SMILESCCN1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C8H15N/c1-2-9-6-7-3-4-8(9)5-7/h7-8H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyWCBKFFPLWHRVII-SFYZADRCSA-N
MW125.22 g/mol
LogP1.49
Rot. Bonds1

About (1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptane

(1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptane (PubChem CID 89142310) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptane
PubChem CID89142310
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptane
SMILESCCN1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C8H15N/c1-2-9-6-7-3-4-8(9)5-7/h7-8H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyWCBKFFPLWHRVII-SFYZADRCSA-N
XLogP1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptane (CID 89142310) is (1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptane is CCN1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is WCBKFFPLWHRVII-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15N/c1-2-9-6-7-3-4-8(9)5-7/h7-8H,2-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of (1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptane?
(1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 125.22 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 89142310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).