8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine

C9H19N3 — CID 70332467

IUPAC8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNCCN1C2CCC1CC(N)C2
InChIInChI=1S/C9H19N3/c10-3-4-12-8-1-2-9(12)6-7(11)5-8/h7-9H,1-6,10-11H2
InChIKeyUWCFEIKHERLMNO-UHFFFAOYSA-N
MW169.27 g/mol
LogP-0.10
Rot. Bonds2

About 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 70332467) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID70332467
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNCCN1C2CCC1CC(N)C2
InChIInChI=1S/C9H19N3/c10-3-4-12-8-1-2-9(12)6-7(11)5-8/h7-9H,1-6,10-11H2
InChIKeyUWCFEIKHERLMNO-UHFFFAOYSA-N
XLogP-0.10
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 70332467) is 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine is NCCN1C2CCC1CC(N)C2.
What is the InChIKey of 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is UWCFEIKHERLMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c10-3-4-12-8-1-2-9(12)6-7(11)5-8/h7-9H,1-6,10-11H2.
What are the key properties of 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 169.27 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 70332467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).