N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine

C17H30N2O2 — CID 102967917

IUPACN-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN2CCC(C)C(OC)C2)c(C)o1
InChIInChI=1S/C17H30N2O2/c1-5-7-18-10-16-9-15(14(3)21-16)11-19-8-6-13(2)17(12-19)20-4/h9,13,17-18H,5-8,10-12H2,1-4H3
InChIKeyJDRGPDVGNZHKAM-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.94
Rot. Bonds7

About N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine

N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine (PubChem CID 102967917) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
PubChem CID102967917
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN2CCC(C)C(OC)C2)c(C)o1
InChIInChI=1S/C17H30N2O2/c1-5-7-18-10-16-9-15(14(3)21-16)11-19-8-6-13(2)17(12-19)20-4/h9,13,17-18H,5-8,10-12H2,1-4H3
InChIKeyJDRGPDVGNZHKAM-UHFFFAOYSA-N
XLogP2.94
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine (CID 102967917) is N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine is CCCNCc1cc(CN2CCC(C)C(OC)C2)c(C)o1.
What is the InChIKey of N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
The InChIKey is JDRGPDVGNZHKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-7-18-10-16-9-15(14(3)21-16)11-19-8-6-13(2)17(12-19)20-4/h9,13,17-18H,5-8,10-12H2,1-4H3.
What are the key properties of N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 102967917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).