3-ethyl-3-azabicyclo[3.2.1]octan-8-amine

C9H18N2 — CID 43810968

IUPAC3-ethyl-3-azabicyclo[3.2.1]octan-8-amine
SMILESCCN1CC2CCC(C1)C2N
InChIInChI=1S/C9H18N2/c1-2-11-5-7-3-4-8(6-11)9(7)10/h7-9H,2-6,10H2,1H3
InChIKeyAWISUXVXHHYBER-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.68
Rot. Bonds1

About 3-ethyl-3-azabicyclo[3.2.1]octan-8-amine

3-ethyl-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 43810968) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-ethyl-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name3-ethyl-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID43810968
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-ethyl-3-azabicyclo[3.2.1]octan-8-amine
SMILESCCN1CC2CCC(C1)C2N
InChIInChI=1S/C9H18N2/c1-2-11-5-7-3-4-8(6-11)9(7)10/h7-9H,2-6,10H2,1H3
InChIKeyAWISUXVXHHYBER-UHFFFAOYSA-N
XLogP0.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.68
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[3.2.1]octan-8-amine?
The IUPAC name of 3-ethyl-3-azabicyclo[3.2.1]octan-8-amine (CID 43810968) is 3-ethyl-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for 3-ethyl-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for 3-ethyl-3-azabicyclo[3.2.1]octan-8-amine is CCN1CC2CCC(C1)C2N.
What is the InChIKey of 3-ethyl-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is AWISUXVXHHYBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-11-5-7-3-4-8(6-11)9(7)10/h7-9H,2-6,10H2,1H3.
What are the key properties of 3-ethyl-3-azabicyclo[3.2.1]octan-8-amine?
3-ethyl-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 154.26 g/mol, XLogP of 0.68, 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[3.2.1]octan-8-amine is sourced from PubChem (CID 43810968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).