2-oxabicyclo[3.2.2]nonan-4-amine

C8H15NO — CID 84716249

IUPAC2-oxabicyclo[3.2.2]nonan-4-amine
SMILESNC1COC2CCC1CC2
InChIInChI=1S/C8H15NO/c9-8-5-10-7-3-1-6(8)2-4-7/h6-8H,1-5,9H2
InChIKeyFOFQGSHWQSXWCH-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.90
Rot. Bonds

About 2-oxabicyclo[3.2.2]nonan-4-amine

2-oxabicyclo[3.2.2]nonan-4-amine (PubChem CID 84716249) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-oxabicyclo[3.2.2]nonan-4-amine.

Molecular Properties

Compound Name2-oxabicyclo[3.2.2]nonan-4-amine
PubChem CID84716249
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-oxabicyclo[3.2.2]nonan-4-amine
SMILESNC1COC2CCC1CC2
InChIInChI=1S/C8H15NO/c9-8-5-10-7-3-1-6(8)2-4-7/h6-8H,1-5,9H2
InChIKeyFOFQGSHWQSXWCH-UHFFFAOYSA-N
XLogP0.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,4S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-amine
CID 26342888
(3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine
CID 97302678
6,8-dioxabicyclo[3.2.1]octan-4-amine
CID 44616005
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine;dihydrochloride
CID 75601610
5-methyl-1,3-dioxan-2-amine
CID 154516283
bicyclo[2.2.2]octan-2-amine
CID 13239288
(3R,5R)-5-cyclopropyloxolan-3-amine
CID 125449018
(3S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-amine
CID 100664845
cis-(1R,2S)-2-cyclopropylcyclopropan-1-amine
CID 91654438
1-O-[(2S,3R)-3-aminooxetan-2-yl] 2-O-[(2S,3S)-3-aminooxetan-2-yl] oxalate
CID 99054207
1-O-[(2R,3R)-3-aminooxetan-2-yl] 2-O-[(2S,3S)-3-aminooxetan-2-yl] oxalate
CID 97161602
azane;4-cyclopropyloxan-3-amine;dihydrochloride
CID 67359568

Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[3.2.2]nonan-4-amine?
The IUPAC name of 2-oxabicyclo[3.2.2]nonan-4-amine (CID 84716249) is 2-oxabicyclo[3.2.2]nonan-4-amine.
What is the SMILES notation for 2-oxabicyclo[3.2.2]nonan-4-amine?
The canonical SMILES for 2-oxabicyclo[3.2.2]nonan-4-amine is NC1COC2CCC1CC2.
What is the InChIKey of 2-oxabicyclo[3.2.2]nonan-4-amine?
The InChIKey is FOFQGSHWQSXWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c9-8-5-10-7-3-1-6(8)2-4-7/h6-8H,1-5,9H2.
What are the key properties of 2-oxabicyclo[3.2.2]nonan-4-amine?
2-oxabicyclo[3.2.2]nonan-4-amine has a molecular weight of 141.21 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[3.2.2]nonan-4-amine is sourced from PubChem (CID 84716249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).