2-cyclohexyl-1-(2,3-dihydrofuran-5-yl)ethanamine

C12H21NO — CID 102653137

IUPAC2-cyclohexyl-1-(2,3-dihydrofuran-5-yl)ethanamine
SMILESNC(CC1CCCCC1)C1=CCCO1
InChIInChI=1S/C12H21NO/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h7,10-11H,1-6,8-9,13H2
InChIKeyXLSNKJTXCQMLHE-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.59
Rot. Bonds3

About 2-cyclohexyl-1-(2,3-dihydrofuran-5-yl)ethanamine

2-cyclohexyl-1-(2,3-dihydrofuran-5-yl)ethanamine (PubChem CID 102653137) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2,3-dihydrofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2,3-dihydrofuran-5-yl)ethanamine
PubChem CID102653137
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-cyclohexyl-1-(2,3-dihydrofuran-5-yl)ethanamine
SMILESNC(CC1CCCCC1)C1=CCCO1
InChIInChI=1S/C12H21NO/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h7,10-11H,1-6,8-9,13H2
InChIKeyXLSNKJTXCQMLHE-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2,3-dihydrofuran-5-yl)ethanamine?
The IUPAC name of 2-cyclohexyl-1-(2,3-dihydrofuran-5-yl)ethanamine (CID 102653137) is 2-cyclohexyl-1-(2,3-dihydrofuran-5-yl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(2,3-dihydrofuran-5-yl)ethanamine?
The canonical SMILES for 2-cyclohexyl-1-(2,3-dihydrofuran-5-yl)ethanamine is NC(CC1CCCCC1)C1=CCCO1.
What is the InChIKey of 2-cyclohexyl-1-(2,3-dihydrofuran-5-yl)ethanamine?
The InChIKey is XLSNKJTXCQMLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h7,10-11H,1-6,8-9,13H2.
What are the key properties of 2-cyclohexyl-1-(2,3-dihydrofuran-5-yl)ethanamine?
2-cyclohexyl-1-(2,3-dihydrofuran-5-yl)ethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2,3-dihydrofuran-5-yl)ethanamine is sourced from PubChem (CID 102653137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).