2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine

C9H18N2 — CID 19771534

IUPAC2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESNCCN1CC2CCC(C2)C1
InChIInChI=1S/C9H18N2/c10-3-4-11-6-8-1-2-9(5-8)7-11/h8-9H,1-7,10H2
InChIKeyGZTLCKQDXBQIRN-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.68
Rot. Bonds2

About 2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine

2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine (PubChem CID 19771534) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine
PubChem CID19771534
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESNCCN1CC2CCC(C2)C1
InChIInChI=1S/C9H18N2/c10-3-4-11-6-8-1-2-9(5-8)7-11/h8-9H,1-7,10H2
InChIKeyGZTLCKQDXBQIRN-UHFFFAOYSA-N
XLogP0.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The IUPAC name of 2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine (CID 19771534) is 2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The canonical SMILES for 2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine is NCCN1CC2CCC(C2)C1.
What is the InChIKey of 2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The InChIKey is GZTLCKQDXBQIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c10-3-4-11-6-8-1-2-9(5-8)7-11/h8-9H,1-7,10H2.
What are the key properties of 2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine has a molecular weight of 154.26 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine is sourced from PubChem (CID 19771534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).