2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one

C17H27NO2 — CID 62707741

IUPAC2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCc1ccc(CN(C)CC2CC(C(C)C)CCC2=O)o1
InChIInChI=1S/C17H27NO2/c1-12(2)14-6-8-17(19)15(9-14)10-18(4)11-16-7-5-13(3)20-16/h5,7,12,14-15H,6,8-11H2,1-4H3
InChIKeyUYLLJLWPIANEIN-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.66
Rot. Bonds5

About 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one

2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one (PubChem CID 62707741) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
PubChem CID62707741
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCc1ccc(CN(C)CC2CC(C(C)C)CCC2=O)o1
InChIInChI=1S/C17H27NO2/c1-12(2)14-6-8-17(19)15(9-14)10-18(4)11-16-7-5-13(3)20-16/h5,7,12,14-15H,6,8-11H2,1-4H3
InChIKeyUYLLJLWPIANEIN-UHFFFAOYSA-N
XLogP3.66
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one (CID 62707741) is 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one is Cc1ccc(CN(C)CC2CC(C(C)C)CCC2=O)o1.
What is the InChIKey of 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The InChIKey is UYLLJLWPIANEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)14-6-8-17(19)15(9-14)10-18(4)11-16-7-5-13(3)20-16/h5,7,12,14-15H,6,8-11H2,1-4H3.
What are the key properties of 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one?
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one has a molecular weight of 277.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 62707741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).