1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone

C15H23NO2 — CID 113437412

IUPAC1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone
SMILESCC(=O)c1ccc(N(C)C2CCC(C)(C)CC2)o1
InChIInChI=1S/C15H23NO2/c1-11(17)13-5-6-14(18-13)16(4)12-7-9-15(2,3)10-8-12/h5-6,12H,7-10H2,1-4H3
InChIKeyHHKUXPSKAGOJKA-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.89
Rot. Bonds3

About 1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone

1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone (PubChem CID 113437412) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone
PubChem CID113437412
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone
SMILESCC(=O)c1ccc(N(C)C2CCC(C)(C)CC2)o1
InChIInChI=1S/C15H23NO2/c1-11(17)13-5-6-14(18-13)16(4)12-7-9-15(2,3)10-8-12/h5-6,12H,7-10H2,1-4H3
InChIKeyHHKUXPSKAGOJKA-UHFFFAOYSA-N
XLogP3.89
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone?
The IUPAC name of 1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone (CID 113437412) is 1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone?
The canonical SMILES for 1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone is CC(=O)c1ccc(N(C)C2CCC(C)(C)CC2)o1.
What is the InChIKey of 1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone?
The InChIKey is HHKUXPSKAGOJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(17)13-5-6-14(18-13)16(4)12-7-9-15(2,3)10-8-12/h5-6,12H,7-10H2,1-4H3.
What are the key properties of 1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone?
1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone has a molecular weight of 249.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4,4-dimethylcyclohexyl)-methylamino]furan-2-yl]ethanone is sourced from PubChem (CID 113437412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).