N-tert-butylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine

C16H23N3O — CID 135929518

IUPACN-tert-butylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESCC(C)(C)/N=C1\Nc2ccccc2NC12CCOCC2
InChIInChI=1S/C16H23N3O/c1-15(2,3)19-14-16(8-10-20-11-9-16)18-13-7-5-4-6-12(13)17-14/h4-7,18H,8-11H2,1-3H3,(H,17,19)
InChIKeySVDANXYSHVVULV-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.27
Rot. Bonds

About N-tert-butylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine

N-tert-butylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (PubChem CID 135929518) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-tert-butylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.

Molecular Properties

Compound NameN-tert-butylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
PubChem CID135929518
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-tert-butylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESCC(C)(C)/N=C1\Nc2ccccc2NC12CCOCC2
InChIInChI=1S/C16H23N3O/c1-15(2,3)19-14-16(8-10-20-11-9-16)18-13-7-5-4-6-12(13)17-14/h4-7,18H,8-11H2,1-3H3,(H,17,19)
InChIKeySVDANXYSHVVULV-UHFFFAOYSA-N
XLogP3.27
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The IUPAC name of N-tert-butylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (CID 135929518) is N-tert-butylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.
What is the SMILES notation for N-tert-butylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The canonical SMILES for N-tert-butylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is CC(C)(C)/N=C1\Nc2ccccc2NC12CCOCC2.
What is the InChIKey of N-tert-butylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The InChIKey is SVDANXYSHVVULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-15(2,3)19-14-16(8-10-20-11-9-16)18-13-7-5-4-6-12(13)17-14/h4-7,18H,8-11H2,1-3H3,(H,17,19).
What are the key properties of N-tert-butylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
N-tert-butylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine has a molecular weight of 273.38 g/mol, XLogP of 3.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is sourced from PubChem (CID 135929518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).