3-ethyl-3-azabicyclo[3.1.1]heptan-6-amine

C8H16N2 — CID 47003624

IUPAC3-ethyl-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCCN1CC2CC(C1)C2N
InChIInChI=1S/C8H16N2/c1-2-10-4-6-3-7(5-10)8(6)9/h6-8H,2-5,9H2,1H3
InChIKeyXXPXFCKDCSUTOC-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.29
Rot. Bonds1

About 3-ethyl-3-azabicyclo[3.1.1]heptan-6-amine

3-ethyl-3-azabicyclo[3.1.1]heptan-6-amine (PubChem CID 47003624) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-ethyl-3-azabicyclo[3.1.1]heptan-6-amine.

Molecular Properties

Compound Name3-ethyl-3-azabicyclo[3.1.1]heptan-6-amine
PubChem CID47003624
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-ethyl-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCCN1CC2CC(C1)C2N
InChIInChI=1S/C8H16N2/c1-2-10-4-6-3-7(5-10)8(6)9/h6-8H,2-5,9H2,1H3
InChIKeyXXPXFCKDCSUTOC-UHFFFAOYSA-N
XLogP0.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-azabicyclo[3.1.1]heptan-6-amine?
The IUPAC name of 3-ethyl-3-azabicyclo[3.1.1]heptan-6-amine (CID 47003624) is 3-ethyl-3-azabicyclo[3.1.1]heptan-6-amine.
What is the SMILES notation for 3-ethyl-3-azabicyclo[3.1.1]heptan-6-amine?
The canonical SMILES for 3-ethyl-3-azabicyclo[3.1.1]heptan-6-amine is CCN1CC2CC(C1)C2N.
What is the InChIKey of 3-ethyl-3-azabicyclo[3.1.1]heptan-6-amine?
The InChIKey is XXPXFCKDCSUTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-10-4-6-3-7(5-10)8(6)9/h6-8H,2-5,9H2,1H3.
What are the key properties of 3-ethyl-3-azabicyclo[3.1.1]heptan-6-amine?
3-ethyl-3-azabicyclo[3.1.1]heptan-6-amine has a molecular weight of 140.23 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-azabicyclo[3.1.1]heptan-6-amine is sourced from PubChem (CID 47003624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).