N-[(5-ethylfuran-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine

C21H36N2O3 — CID 45206448

IUPACN-[(5-ethylfuran-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
SMILESCCc1ccc(CN(CC2CCN(CCOC)CC2)CC2CCCO2)o1
InChIInChI=1S/C21H36N2O3/c1-3-19-6-7-21(26-19)17-23(16-20-5-4-13-25-20)15-18-8-10-22(11-9-18)12-14-24-2/h6-7,18,20H,3-5,8-17H2,1-2H3
InChIKeyXIMZKQHTNMRNBA-UHFFFAOYSA-N
MW364.53 g/mol
LogP3.18
Rot. Bonds10

About N-[(5-ethylfuran-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine

N-[(5-ethylfuran-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine (PubChem CID 45206448) has the molecular formula C21H36N2O3 and a molecular weight of 364.53 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
PubChem CID45206448
Molecular FormulaC21H36N2O3
Molecular Weight364.53 g/mol
Exact Mass364.27
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
SMILESCCc1ccc(CN(CC2CCN(CCOC)CC2)CC2CCCO2)o1
InChIInChI=1S/C21H36N2O3/c1-3-19-6-7-21(26-19)17-23(16-20-5-4-13-25-20)15-18-8-10-22(11-9-18)12-14-24-2/h6-7,18,20H,3-5,8-17H2,1-2H3
InChIKeyXIMZKQHTNMRNBA-UHFFFAOYSA-N
XLogP3.18
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine (CID 45206448) is N-[(5-ethylfuran-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine is CCc1ccc(CN(CC2CCN(CCOC)CC2)CC2CCCO2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine?
The InChIKey is XIMZKQHTNMRNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O3/c1-3-19-6-7-21(26-19)17-23(16-20-5-4-13-25-20)15-18-8-10-22(11-9-18)12-14-24-2/h6-7,18,20H,3-5,8-17H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine?
N-[(5-ethylfuran-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine has a molecular weight of 364.53 g/mol, XLogP of 3.18, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine is sourced from PubChem (CID 45206448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).