N-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C15H23NO2 — CID 81402535

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESC[C@@H](NC1C2CCCOC2C1(C)C)c1ccco1
InChIInChI=1S/C15H23NO2/c1-10(12-7-5-8-17-12)16-13-11-6-4-9-18-14(11)15(13,2)3/h5,7-8,10-11,13-14,16H,4,6,9H2,1-3H3/t10-,11?,13?,14?/m1/s1
InChIKeyULDMSQHPLHFFDR-AZAQEYEISA-N
MW249.35 g/mol
LogP3.13
Rot. Bonds3

About N-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

N-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 81402535) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID81402535
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESC[C@@H](NC1C2CCCOC2C1(C)C)c1ccco1
InChIInChI=1S/C15H23NO2/c1-10(12-7-5-8-17-12)16-13-11-6-4-9-18-14(11)15(13,2)3/h5,7-8,10-11,13-14,16H,4,6,9H2,1-3H3/t10-,11?,13?,14?/m1/s1
InChIKeyULDMSQHPLHFFDR-AZAQEYEISA-N
XLogP3.13
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

8,8-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 81375692
N-[1-(furan-2-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 86795758
8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 81406737
8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64864799
3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea
CID 124865919
7,7-dimethyl-N-[(1S)-1-phenylethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 81350612
N-[cyclopropyl(phenyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64864978
N-[1-(furan-2-yl)propan-2-yl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863690
8,8-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863052
N-[1-(2,6-difluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864680
N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865167
(2R)-2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]propan-1-ol
CID 114987247

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 81402535) is N-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is C[C@@H](NC1C2CCCOC2C1(C)C)c1ccco1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is ULDMSQHPLHFFDR-AZAQEYEISA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(12-7-5-8-17-12)16-13-11-6-4-9-18-14(11)15(13,2)3/h5,7-8,10-11,13-14,16H,4,6,9H2,1-3H3/t10-,11?,13?,14?/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
N-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 249.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 81402535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).