(8S)-4-oxaspiro[2.5]octan-8-amine

C7H13NO — CID 162523670

IUPAC(8S)-4-oxaspiro[2.5]octan-8-amine
SMILESN[C@H]1CCCOC12CC2
InChIInChI=1S/C7H13NO/c8-6-2-1-5-9-7(6)3-4-7/h6H,1-5,8H2/t6-/m0/s1
InChIKeyBNZCSQVHXXJAAS-LURJTMIESA-N
MW127.19 g/mol
LogP0.66
Rot. Bonds

About (8S)-4-oxaspiro[2.5]octan-8-amine

(8S)-4-oxaspiro[2.5]octan-8-amine (PubChem CID 162523670) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (8S)-4-oxaspiro[2.5]octan-8-amine.

Molecular Properties

Compound Name(8S)-4-oxaspiro[2.5]octan-8-amine
PubChem CID162523670
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(8S)-4-oxaspiro[2.5]octan-8-amine
SMILESN[C@H]1CCCOC12CC2
InChIInChI=1S/C7H13NO/c8-6-2-1-5-9-7(6)3-4-7/h6H,1-5,8H2/t6-/m0/s1
InChIKeyBNZCSQVHXXJAAS-LURJTMIESA-N
XLogP0.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-oxaspiro[4.5]decan-10-amine
CID 121318257
oxane-2,2,3-triamine
CID 151620994
8-propan-2-yl-4-oxaspiro[2.5]octane
CID 176797220
[(5S)-1-oxaspiro[4.4]nonan-9-yl]hydrazine
CID 170965638
4-oxaspiro[2.4]heptan-7-ylhydrazine
CID 170121908
1-oxaspiro[3.4]octan-3-amine
CID 155895257
2,2,3-triethyloxane
CID 154383449
7-methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine
CID 166797028
(9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid
CID 66787032
1-oxaspiro[4.5]decan-8-amine
CID 67070405
spiro[5.6]dodecan-12-amine
CID 15021866
(4S)-1-oxaspiro[4.5]decan-4-ol
CID 134985958

Frequently Asked Questions

What is the IUPAC name of (8S)-4-oxaspiro[2.5]octan-8-amine?
The IUPAC name of (8S)-4-oxaspiro[2.5]octan-8-amine (CID 162523670) is (8S)-4-oxaspiro[2.5]octan-8-amine.
What is the SMILES notation for (8S)-4-oxaspiro[2.5]octan-8-amine?
The canonical SMILES for (8S)-4-oxaspiro[2.5]octan-8-amine is N[C@H]1CCCOC12CC2.
What is the InChIKey of (8S)-4-oxaspiro[2.5]octan-8-amine?
The InChIKey is BNZCSQVHXXJAAS-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO/c8-6-2-1-5-9-7(6)3-4-7/h6H,1-5,8H2/t6-/m0/s1.
What are the key properties of (8S)-4-oxaspiro[2.5]octan-8-amine?
(8S)-4-oxaspiro[2.5]octan-8-amine has a molecular weight of 127.19 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-4-oxaspiro[2.5]octan-8-amine is sourced from PubChem (CID 162523670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).