N-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine

C16H28N2O2 — CID 62458800

IUPACN-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1oc(COCCN2CCCCC2)cc1C
InChIInChI=1S/C16H28N2O2/c1-3-17-12-16-14(2)11-15(20-16)13-19-10-9-18-7-5-4-6-8-18/h11,17H,3-10,12-13H2,1-2H3
InChIKeyVMMSSCGPIYUSJL-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.70
Rot. Bonds8

About N-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine

N-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine (PubChem CID 62458800) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine
PubChem CID62458800
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1oc(COCCN2CCCCC2)cc1C
InChIInChI=1S/C16H28N2O2/c1-3-17-12-16-14(2)11-15(20-16)13-19-10-9-18-7-5-4-6-8-18/h11,17H,3-10,12-13H2,1-2H3
InChIKeyVMMSSCGPIYUSJL-UHFFFAOYSA-N
XLogP2.70
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine
CID 62460388
N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine
CID 62444712
N-[[3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methyl]ethanamine
CID 106449758
N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine
CID 62456796
N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62451338
N-methyl-1-[5-methyl-4-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methanamine
CID 62460576
N-[[3-methyl-5-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]ethanamine
CID 62450592
N-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine
CID 55076653
N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62458955
N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62439093
1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62438729
N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62449858

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine (CID 62458800) is N-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine is CCNCc1oc(COCCN2CCCCC2)cc1C.
What is the InChIKey of N-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is VMMSSCGPIYUSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-17-12-16-14(2)11-15(20-16)13-19-10-9-18-7-5-4-6-8-18/h11,17H,3-10,12-13H2,1-2H3.
What are the key properties of N-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine?
N-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 280.41 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62458800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).