(2R)-1-[(6R)-4-oxaspiro[2.5]octan-6-yl]pentan-2-amine

C12H23NO — CID 59201556

IUPAC(2R)-1-[(6R)-4-oxaspiro[2.5]octan-6-yl]pentan-2-amine
SMILESCCC[C@@H](N)C[C@H]1CCC2(CC2)OC1
InChIInChI=1S/C12H23NO/c1-2-3-11(13)8-10-4-5-12(6-7-12)14-9-10/h10-11H,2-9,13H2,1H3/t10-,11-/m1/s1
InChIKeyGFFPJOUFXRJDKC-GHMZBOCLSA-N
MW197.32 g/mol
LogP2.46
Rot. Bonds4

About (2R)-1-[(6R)-4-oxaspiro[2.5]octan-6-yl]pentan-2-amine

(2R)-1-[(6R)-4-oxaspiro[2.5]octan-6-yl]pentan-2-amine (PubChem CID 59201556) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2R)-1-[(6R)-4-oxaspiro[2.5]octan-6-yl]pentan-2-amine.

Molecular Properties

Compound Name(2R)-1-[(6R)-4-oxaspiro[2.5]octan-6-yl]pentan-2-amine
PubChem CID59201556
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2R)-1-[(6R)-4-oxaspiro[2.5]octan-6-yl]pentan-2-amine
SMILESCCC[C@@H](N)C[C@H]1CCC2(CC2)OC1
InChIInChI=1S/C12H23NO/c1-2-3-11(13)8-10-4-5-12(6-7-12)14-9-10/h10-11H,2-9,13H2,1H3/t10-,11-/m1/s1
InChIKeyGFFPJOUFXRJDKC-GHMZBOCLSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6R)-4-oxaspiro[2.5]octan-6-yl]pentan-2-amine?
The IUPAC name of (2R)-1-[(6R)-4-oxaspiro[2.5]octan-6-yl]pentan-2-amine (CID 59201556) is (2R)-1-[(6R)-4-oxaspiro[2.5]octan-6-yl]pentan-2-amine.
What is the SMILES notation for (2R)-1-[(6R)-4-oxaspiro[2.5]octan-6-yl]pentan-2-amine?
The canonical SMILES for (2R)-1-[(6R)-4-oxaspiro[2.5]octan-6-yl]pentan-2-amine is CCC[C@@H](N)C[C@H]1CCC2(CC2)OC1.
What is the InChIKey of (2R)-1-[(6R)-4-oxaspiro[2.5]octan-6-yl]pentan-2-amine?
The InChIKey is GFFPJOUFXRJDKC-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-11(13)8-10-4-5-12(6-7-12)14-9-10/h10-11H,2-9,13H2,1H3/t10-,11-/m1/s1.
What are the key properties of (2R)-1-[(6R)-4-oxaspiro[2.5]octan-6-yl]pentan-2-amine?
(2R)-1-[(6R)-4-oxaspiro[2.5]octan-6-yl]pentan-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6R)-4-oxaspiro[2.5]octan-6-yl]pentan-2-amine is sourced from PubChem (CID 59201556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).