8-(2-amino-1-phenylethyl)-8-azaspiro[4.5]decane-7,9-dione

C17H22N2O2 — CID 63763734

IUPAC8-(2-amino-1-phenylethyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESNCC(c1ccccc1)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C17H22N2O2/c18-12-14(13-6-2-1-3-7-13)19-15(20)10-17(11-16(19)21)8-4-5-9-17/h1-3,6-7,14H,4-5,8-12,18H2
InChIKeySJTBYVDDGHYOKU-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.40
Rot. Bonds3

About 8-(2-amino-1-phenylethyl)-8-azaspiro[4.5]decane-7,9-dione

8-(2-amino-1-phenylethyl)-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 63763734) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 8-(2-amino-1-phenylethyl)-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-(2-amino-1-phenylethyl)-8-azaspiro[4.5]decane-7,9-dione
PubChem CID63763734
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name8-(2-amino-1-phenylethyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESNCC(c1ccccc1)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C17H22N2O2/c18-12-14(13-6-2-1-3-7-13)19-15(20)10-17(11-16(19)21)8-4-5-9-17/h1-3,6-7,14H,4-5,8-12,18H2
InChIKeySJTBYVDDGHYOKU-UHFFFAOYSA-N
XLogP2.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-1-phenylethyl)-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-(2-amino-1-phenylethyl)-8-azaspiro[4.5]decane-7,9-dione (CID 63763734) is 8-(2-amino-1-phenylethyl)-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-(2-amino-1-phenylethyl)-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-(2-amino-1-phenylethyl)-8-azaspiro[4.5]decane-7,9-dione is NCC(c1ccccc1)N1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-(2-amino-1-phenylethyl)-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is SJTBYVDDGHYOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-12-14(13-6-2-1-3-7-13)19-15(20)10-17(11-16(19)21)8-4-5-9-17/h1-3,6-7,14H,4-5,8-12,18H2.
What are the key properties of 8-(2-amino-1-phenylethyl)-8-azaspiro[4.5]decane-7,9-dione?
8-(2-amino-1-phenylethyl)-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 286.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-1-phenylethyl)-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 63763734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).