1-ethyl-3-azabicyclo[3.2.0]heptan-6-amine

C8H16N2 — CID 21475436

IUPAC1-ethyl-3-azabicyclo[3.2.0]heptan-6-amine
SMILESCCC12CNCC1C(N)C2
InChIInChI=1S/C8H16N2/c1-2-8-3-7(9)6(8)4-10-5-8/h6-7,10H,2-5,9H2,1H3
InChIKeyGEHNTDBDYPXDCO-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.33
Rot. Bonds1

About 1-ethyl-3-azabicyclo[3.2.0]heptan-6-amine

1-ethyl-3-azabicyclo[3.2.0]heptan-6-amine (PubChem CID 21475436) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-ethyl-3-azabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name1-ethyl-3-azabicyclo[3.2.0]heptan-6-amine
PubChem CID21475436
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-ethyl-3-azabicyclo[3.2.0]heptan-6-amine
SMILESCCC12CNCC1C(N)C2
InChIInChI=1S/C8H16N2/c1-2-8-3-7(9)6(8)4-10-5-8/h6-7,10H,2-5,9H2,1H3
InChIKeyGEHNTDBDYPXDCO-UHFFFAOYSA-N
XLogP0.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-azabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 1-ethyl-3-azabicyclo[3.2.0]heptan-6-amine (CID 21475436) is 1-ethyl-3-azabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 1-ethyl-3-azabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 1-ethyl-3-azabicyclo[3.2.0]heptan-6-amine is CCC12CNCC1C(N)C2.
What is the InChIKey of 1-ethyl-3-azabicyclo[3.2.0]heptan-6-amine?
The InChIKey is GEHNTDBDYPXDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-8-3-7(9)6(8)4-10-5-8/h6-7,10H,2-5,9H2,1H3.
What are the key properties of 1-ethyl-3-azabicyclo[3.2.0]heptan-6-amine?
1-ethyl-3-azabicyclo[3.2.0]heptan-6-amine has a molecular weight of 140.23 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-azabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 21475436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).