6-oxabicyclo[3.2.1]octan-1-ylmethanamine

C8H15NO — CID 138040688

IUPAC6-oxabicyclo[3.2.1]octan-1-ylmethanamine
SMILESNCC12CCCC(C1)OC2
InChIInChI=1S/C8H15NO/c9-5-8-3-1-2-7(4-8)10-6-8/h7H,1-6,9H2
InChIKeyAHITXDDNDGJCJQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.90
Rot. Bonds1

About 6-oxabicyclo[3.2.1]octan-1-ylmethanamine

6-oxabicyclo[3.2.1]octan-1-ylmethanamine (PubChem CID 138040688) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 6-oxabicyclo[3.2.1]octan-1-ylmethanamine.

Molecular Properties

Compound Name6-oxabicyclo[3.2.1]octan-1-ylmethanamine
PubChem CID138040688
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name6-oxabicyclo[3.2.1]octan-1-ylmethanamine
SMILESNCC12CCCC(C1)OC2
InChIInChI=1S/C8H15NO/c9-5-8-3-1-2-7(4-8)10-6-8/h7H,1-6,9H2
InChIKeyAHITXDDNDGJCJQ-UHFFFAOYSA-N
XLogP0.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

6-oxabicyclo[3.2.1]octan-1-ylmethanol
CID 15676003
2-oxabicyclo[2.1.1]hexan-4-ylmethylhydrazine
CID 177206131
7-oxabicyclo[2.2.1]heptan-1-ylmethanamine
CID 125458515
2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ylmethanamine
CID 126827532
1-methyl-9-oxabicyclo[3.3.1]nonane
CID 54377321
[(1R,3R)-1,3-dimethylcyclohexyl]methanamine
CID 124509461
[(7R)-6-oxaspiro[3.4]octan-7-yl]methanamine
CID 125457158
[1-(cyclopentylmethyl)cyclopropyl]methanamine
CID 66024631
(1S,5R)-1-(aminomethyl)-8-oxabicyclo[3.2.1]octan-3-one
CID 11869144
6-oxaspiro[3.4]octan-7-ylmethanamine;hydrochloride
CID 126835221
cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
CID 25015095
[3-(aminomethyl)-2,3-bis(oxiran-2-ylmethyl)cyclohexyl]methanamine
CID 91084845

Frequently Asked Questions

What is the IUPAC name of 6-oxabicyclo[3.2.1]octan-1-ylmethanamine?
The IUPAC name of 6-oxabicyclo[3.2.1]octan-1-ylmethanamine (CID 138040688) is 6-oxabicyclo[3.2.1]octan-1-ylmethanamine.
What is the SMILES notation for 6-oxabicyclo[3.2.1]octan-1-ylmethanamine?
The canonical SMILES for 6-oxabicyclo[3.2.1]octan-1-ylmethanamine is NCC12CCCC(C1)OC2.
What is the InChIKey of 6-oxabicyclo[3.2.1]octan-1-ylmethanamine?
The InChIKey is AHITXDDNDGJCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c9-5-8-3-1-2-7(4-8)10-6-8/h7H,1-6,9H2.
What are the key properties of 6-oxabicyclo[3.2.1]octan-1-ylmethanamine?
6-oxabicyclo[3.2.1]octan-1-ylmethanamine has a molecular weight of 141.21 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxabicyclo[3.2.1]octan-1-ylmethanamine is sourced from PubChem (CID 138040688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).