[(1R,3S)-3-(5-methyl-2,3-dihydrofuran-2-yl)cyclohexyl]methanamine

C12H21NO — CID 89062521

IUPAC[(1R,3S)-3-(5-methyl-2,3-dihydrofuran-2-yl)cyclohexyl]methanamine
SMILESCC1=CCC([C@H]2CCC[C@@H](CN)C2)O1
InChIInChI=1S/C12H21NO/c1-9-5-6-12(14-9)11-4-2-3-10(7-11)8-13/h5,10-12H,2-4,6-8,13H2,1H3/t10-,11+,12?/m1/s1
InChIKeyXDSDVAWSNGPMJM-UBNQGINQSA-N
MW195.31 g/mol
LogP2.44
Rot. Bonds2

About [(1R,3S)-3-(5-methyl-2,3-dihydrofuran-2-yl)cyclohexyl]methanamine

[(1R,3S)-3-(5-methyl-2,3-dihydrofuran-2-yl)cyclohexyl]methanamine (PubChem CID 89062521) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is [(1R,3S)-3-(5-methyl-2,3-dihydrofuran-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[(1R,3S)-3-(5-methyl-2,3-dihydrofuran-2-yl)cyclohexyl]methanamine
PubChem CID89062521
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name[(1R,3S)-3-(5-methyl-2,3-dihydrofuran-2-yl)cyclohexyl]methanamine
SMILESCC1=CCC([C@H]2CCC[C@@H](CN)C2)O1
InChIInChI=1S/C12H21NO/c1-9-5-6-12(14-9)11-4-2-3-10(7-11)8-13/h5,10-12H,2-4,6-8,13H2,1H3/t10-,11+,12?/m1/s1
InChIKeyXDSDVAWSNGPMJM-UBNQGINQSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(5-methyl-2,3-dihydrofuran-2-yl)cyclohexyl]methanamine?
The IUPAC name of [(1R,3S)-3-(5-methyl-2,3-dihydrofuran-2-yl)cyclohexyl]methanamine (CID 89062521) is [(1R,3S)-3-(5-methyl-2,3-dihydrofuran-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [(1R,3S)-3-(5-methyl-2,3-dihydrofuran-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [(1R,3S)-3-(5-methyl-2,3-dihydrofuran-2-yl)cyclohexyl]methanamine is CC1=CCC([C@H]2CCC[C@@H](CN)C2)O1.
What is the InChIKey of [(1R,3S)-3-(5-methyl-2,3-dihydrofuran-2-yl)cyclohexyl]methanamine?
The InChIKey is XDSDVAWSNGPMJM-UBNQGINQSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-5-6-12(14-9)11-4-2-3-10(7-11)8-13/h5,10-12H,2-4,6-8,13H2,1H3/t10-,11+,12?/m1/s1.
What are the key properties of [(1R,3S)-3-(5-methyl-2,3-dihydrofuran-2-yl)cyclohexyl]methanamine?
[(1R,3S)-3-(5-methyl-2,3-dihydrofuran-2-yl)cyclohexyl]methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-(5-methyl-2,3-dihydrofuran-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 89062521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).