N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine

C17H23NO2 — CID 64865640

IUPACN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC1(C)C(NC2CCOc3ccccc32)C2CCOC21
InChIInChI=1S/C17H23NO2/c1-17(2)15(12-7-9-20-16(12)17)18-13-8-10-19-14-6-4-3-5-11(13)14/h3-6,12-13,15-16,18H,7-10H2,1-2H3
InChIKeyVIIRHXQRUMLOIM-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.91
Rot. Bonds2

About N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 64865640) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID64865640
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC1(C)C(NC2CCOc3ccccc32)C2CCOC21
InChIInChI=1S/C17H23NO2/c1-17(2)15(12-7-9-20-16(12)17)18-13-8-10-19-14-6-4-3-5-11(13)14/h3-6,12-13,15-16,18H,7-10H2,1-2H3
InChIKeyVIIRHXQRUMLOIM-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine with MolForge

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43182350
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine;hydroiodide
CID 109392229
N-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906207
N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 64752350
7,7-dimethyl-N-[(1S)-1-phenylethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 81350612
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863105
N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872035
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
(2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol
CID 103921748

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine (CID 64865640) is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine is CC1(C)C(NC2CCOc3ccccc32)C2CCOC21.
What is the InChIKey of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VIIRHXQRUMLOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2)15(12-7-9-20-16(12)17)18-13-8-10-19-14-6-4-3-5-11(13)14/h3-6,12-13,15-16,18H,7-10H2,1-2H3.
What are the key properties of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine?
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 64865640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).