[5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine

C14H24N2O2 — CID 62411388

IUPAC[5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine
SMILESCCOC1CCCN(Cc2cc(C)c(CN)o2)C1
InChIInChI=1S/C14H24N2O2/c1-3-17-12-5-4-6-16(9-12)10-13-7-11(2)14(8-15)18-13/h7,12H,3-6,8-10,15H2,1-2H3
InChIKeyKCEMSHAUKXSCGV-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.05
Rot. Bonds5

About [5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine

[5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine (PubChem CID 62411388) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is [5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine
PubChem CID62411388
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name[5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine
SMILESCCOC1CCCN(Cc2cc(C)c(CN)o2)C1
InChIInChI=1S/C14H24N2O2/c1-3-17-12-5-4-6-16(9-12)10-13-7-11(2)14(8-15)18-13/h7,12H,3-6,8-10,15H2,1-2H3
InChIKeyKCEMSHAUKXSCGV-UHFFFAOYSA-N
XLogP2.05
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine with MolForge

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Related Compounds

[3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine
CID 81205816
[3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine
CID 79170378
[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine
CID 55217384
[5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine
CID 65286758
N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62411045
N-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62413499
5-[(3-ethoxypiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056225
5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 138004391
5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline
CID 54985085
[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine
CID 55135292
[3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
CID 55078007
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872

Frequently Asked Questions

What is the IUPAC name of [5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine?
The IUPAC name of [5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine (CID 62411388) is [5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine.
What is the SMILES notation for [5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine?
The canonical SMILES for [5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine is CCOC1CCCN(Cc2cc(C)c(CN)o2)C1.
What is the InChIKey of [5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine?
The InChIKey is KCEMSHAUKXSCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-17-12-5-4-6-16(9-12)10-13-7-11(2)14(8-15)18-13/h7,12H,3-6,8-10,15H2,1-2H3.
What are the key properties of [5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine?
[5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine has a molecular weight of 252.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-ethoxypiperidin-1-yl)methyl]-3-methylfuran-2-yl]methanamine is sourced from PubChem (CID 62411388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).