2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one

C16H25NO2 — CID 62612064

IUPAC2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(C)Cc2ccoc2)C1
InChIInChI=1S/C16H25NO2/c1-3-4-13-5-6-16(18)15(9-13)11-17(2)10-14-7-8-19-12-14/h7-8,12-13,15H,3-6,9-11H2,1-2H3
InChIKeyQNWGAJUFMBHFGE-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.50
Rot. Bonds6

About 2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one

2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one (PubChem CID 62612064) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one
PubChem CID62612064
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(C)Cc2ccoc2)C1
InChIInChI=1S/C16H25NO2/c1-3-4-13-5-6-16(18)15(9-13)11-17(2)10-14-7-8-19-12-14/h7-8,12-13,15H,3-6,9-11H2,1-2H3
InChIKeyQNWGAJUFMBHFGE-UHFFFAOYSA-N
XLogP3.50
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one (CID 62612064) is 2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN(C)Cc2ccoc2)C1.
What is the InChIKey of 2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one?
The InChIKey is QNWGAJUFMBHFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-4-13-5-6-16(18)15(9-13)11-17(2)10-14-7-8-19-12-14/h7-8,12-13,15H,3-6,9-11H2,1-2H3.
What are the key properties of 2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one?
2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 62612064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).