8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine

C15H23NOS — CID 64864799

IUPAC8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(NC1C2CCCOC2C1(C)C)c1ccsc1
InChIInChI=1S/C15H23NOS/c1-10(11-6-8-18-9-11)16-13-12-5-4-7-17-14(12)15(13,2)3/h6,8-10,12-14,16H,4-5,7H2,1-3H3
InChIKeyWTUYUWFPWYRKKS-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.60
Rot. Bonds3

About 8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 64864799) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID64864799
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(NC1C2CCCOC2C1(C)C)c1ccsc1
InChIInChI=1S/C15H23NOS/c1-10(11-6-8-18-9-11)16-13-12-5-4-7-17-14(12)15(13,2)3/h6,8-10,12-14,16H,4-5,7H2,1-3H3
InChIKeyWTUYUWFPWYRKKS-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 81406737
N-[(1R)-1-(furan-2-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 81402535
8,8-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 81375692
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-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862875
(2R)-2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]propan-1-ol
CID 114987247
N-[(1S)-1-cycloheptylethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 81390910
7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864698
8,8-dimethyl-N-(2-phenylpropyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863032
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62089839
N-[1-(2,6-difluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864680

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine (CID 64864799) is 8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine is CC(NC1C2CCCOC2C1(C)C)c1ccsc1.
What is the InChIKey of 8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is WTUYUWFPWYRKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-10(11-6-8-18-9-11)16-13-12-5-4-7-17-14(12)15(13,2)3/h6,8-10,12-14,16H,4-5,7H2,1-3H3.
What are the key properties of 8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 265.42 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 64864799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).