(5R)-1'-ethylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]-5-amine

C12H19N3O — CID 146477507

IUPAC(5R)-1'-ethylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]-5-amine
SMILESCCN1CCC2(CC1)c1oncc1C[C@H]2N
InChIInChI=1S/C12H19N3O/c1-2-15-5-3-12(4-6-15)10(13)7-9-8-14-16-11(9)12/h8,10H,2-7,13H2,1H3/t10-/m1/s1
InChIKeyVVLCSBYIYHDIFC-SNVBAGLBSA-N
MW221.30 g/mol
LogP0.91
Rot. Bonds1

About (5R)-1'-ethylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]-5-amine

(5R)-1'-ethylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]-5-amine (PubChem CID 146477507) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (5R)-1'-ethylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]-5-amine.

Molecular Properties

Compound Name(5R)-1'-ethylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]-5-amine
PubChem CID146477507
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(5R)-1'-ethylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]-5-amine
SMILESCCN1CCC2(CC1)c1oncc1C[C@H]2N
InChIInChI=1S/C12H19N3O/c1-2-15-5-3-12(4-6-15)10(13)7-9-8-14-16-11(9)12/h8,10H,2-7,13H2,1H3/t10-/m1/s1
InChIKeyVVLCSBYIYHDIFC-SNVBAGLBSA-N
XLogP0.91
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-1'-ethylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]-5-amine?
The IUPAC name of (5R)-1'-ethylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]-5-amine (CID 146477507) is (5R)-1'-ethylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]-5-amine.
What is the SMILES notation for (5R)-1'-ethylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]-5-amine?
The canonical SMILES for (5R)-1'-ethylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]-5-amine is CCN1CCC2(CC1)c1oncc1C[C@H]2N.
What is the InChIKey of (5R)-1'-ethylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]-5-amine?
The InChIKey is VVLCSBYIYHDIFC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15-5-3-12(4-6-15)10(13)7-9-8-14-16-11(9)12/h8,10H,2-7,13H2,1H3/t10-/m1/s1.
What are the key properties of (5R)-1'-ethylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]-5-amine?
(5R)-1'-ethylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]-5-amine has a molecular weight of 221.30 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1'-ethylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]-5-amine is sourced from PubChem (CID 146477507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).