8-phenyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine

C13H17N3O — CID 106821114

IUPAC8-phenyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCN(c3ccccc3)CC2)O1
InChIInChI=1S/C13H17N3O/c14-12-15-10-13(17-12)6-8-16(9-7-13)11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,14,15)
InChIKeyHIPBUQHZLACGOI-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.37
Rot. Bonds1

About 8-phenyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine

8-phenyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 106821114) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 8-phenyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name8-phenyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID106821114
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name8-phenyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCN(c3ccccc3)CC2)O1
InChIInChI=1S/C13H17N3O/c14-12-15-10-13(17-12)6-8-16(9-7-13)11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,14,15)
InChIKeyHIPBUQHZLACGOI-UHFFFAOYSA-N
XLogP1.37
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-phenyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 8-phenyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine (CID 106821114) is 8-phenyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 8-phenyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 8-phenyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine is NC1=NCC2(CCN(c3ccccc3)CC2)O1.
What is the InChIKey of 8-phenyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is HIPBUQHZLACGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-12-15-10-13(17-12)6-8-16(9-7-13)11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,14,15).
What are the key properties of 8-phenyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine?
8-phenyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 106821114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).