(5S)-4-ethyl-1,4-diazabicyclo[3.2.1]octane

C8H16N2 — CID 89391493

IUPAC(5S)-4-ethyl-1,4-diazabicyclo[3.2.1]octane
SMILESCCN1CCN2CC[C@H]1C2
InChIInChI=1S/C8H16N2/c1-2-10-6-5-9-4-3-8(10)7-9/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyAEZUZGIKJUFVQJ-QMMMGPOBSA-N
MW140.23 g/mol
LogP0.40
Rot. Bonds1

About (5S)-4-ethyl-1,4-diazabicyclo[3.2.1]octane

(5S)-4-ethyl-1,4-diazabicyclo[3.2.1]octane (PubChem CID 89391493) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (5S)-4-ethyl-1,4-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(5S)-4-ethyl-1,4-diazabicyclo[3.2.1]octane
PubChem CID89391493
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(5S)-4-ethyl-1,4-diazabicyclo[3.2.1]octane
SMILESCCN1CCN2CC[C@H]1C2
InChIInChI=1S/C8H16N2/c1-2-10-6-5-9-4-3-8(10)7-9/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyAEZUZGIKJUFVQJ-QMMMGPOBSA-N
XLogP0.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-ethyl-1,4-diazabicyclo[3.2.1]octane?
The IUPAC name of (5S)-4-ethyl-1,4-diazabicyclo[3.2.1]octane (CID 89391493) is (5S)-4-ethyl-1,4-diazabicyclo[3.2.1]octane.
What is the SMILES notation for (5S)-4-ethyl-1,4-diazabicyclo[3.2.1]octane?
The canonical SMILES for (5S)-4-ethyl-1,4-diazabicyclo[3.2.1]octane is CCN1CCN2CC[C@H]1C2.
What is the InChIKey of (5S)-4-ethyl-1,4-diazabicyclo[3.2.1]octane?
The InChIKey is AEZUZGIKJUFVQJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-10-6-5-9-4-3-8(10)7-9/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (5S)-4-ethyl-1,4-diazabicyclo[3.2.1]octane?
(5S)-4-ethyl-1,4-diazabicyclo[3.2.1]octane has a molecular weight of 140.23 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-ethyl-1,4-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 89391493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).