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

C16H28N2O2 — CID 102967918

IUPACN-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc(CN2CCC(C)C(OC)C2)cc1C
InChIInChI=1S/C16H28N2O2/c1-5-17-9-15-13(3)8-14(20-15)10-18-7-6-12(2)16(11-18)19-4/h8,12,16-17H,5-7,9-11H2,1-4H3
InChIKeyCUACWCRYKYVJJD-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.55
Rot. Bonds6

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

N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine (PubChem CID 102967918) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine
PubChem CID102967918
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc(CN2CCC(C)C(OC)C2)cc1C
InChIInChI=1S/C16H28N2O2/c1-5-17-9-15-13(3)8-14(20-15)10-18-7-6-12(2)16(11-18)19-4/h8,12,16-17H,5-7,9-11H2,1-4H3
InChIKeyCUACWCRYKYVJJD-UHFFFAOYSA-N
XLogP2.55
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine (CID 102967918) is N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine is CCNCc1oc(CN2CCC(C)C(OC)C2)cc1C.
What is the InChIKey of N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine?
The InChIKey is CUACWCRYKYVJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-17-9-15-13(3)8-14(20-15)10-18-7-6-12(2)16(11-18)19-4/h8,12,16-17H,5-7,9-11H2,1-4H3.
What are the key properties of N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine?
N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine has a molecular weight of 280.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 102967918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).