3-azabicyclo[3.3.1]nonan-9-amine

C8H16N2 — CID 18414513

IUPAC3-azabicyclo[3.3.1]nonan-9-amine
SMILESNC1C2CCCC1CNC2
InChIInChI=1S/C8H16N2/c9-8-6-2-1-3-7(8)5-10-4-6/h6-8,10H,1-5,9H2
InChIKeyDFJMKIFTLAAZEO-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.33
Rot. Bonds

About 3-azabicyclo[3.3.1]nonan-9-amine

3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 18414513) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound Name3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID18414513
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-azabicyclo[3.3.1]nonan-9-amine
SMILESNC1C2CCCC1CNC2
InChIInChI=1S/C8H16N2/c9-8-6-2-1-3-7(8)5-10-4-6/h6-8,10H,1-5,9H2
InChIKeyDFJMKIFTLAAZEO-UHFFFAOYSA-N
XLogP0.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
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 3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of 3-azabicyclo[3.3.1]nonan-9-amine (CID 18414513) is 3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for 3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for 3-azabicyclo[3.3.1]nonan-9-amine is NC1C2CCCC1CNC2.
What is the InChIKey of 3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is DFJMKIFTLAAZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c9-8-6-2-1-3-7(8)5-10-4-6/h6-8,10H,1-5,9H2.
What are the key properties of 3-azabicyclo[3.3.1]nonan-9-amine?
3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 140.23 g/mol, XLogP of 0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 18414513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).