N-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine

C14H24N2O2 — CID 55076653

IUPACN-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine
SMILESCNCc1cc(COCCN2CCCC2)c(C)o1
InChIInChI=1S/C14H24N2O2/c1-12-13(9-14(18-12)10-15-2)11-17-8-7-16-5-3-4-6-16/h9,15H,3-8,10-11H2,1-2H3
InChIKeyKCRFJKOSJSGPPP-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.92
Rot. Bonds7

About N-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine

N-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine (PubChem CID 55076653) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine
PubChem CID55076653
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine
SMILESCNCc1cc(COCCN2CCCC2)c(C)o1
InChIInChI=1S/C14H24N2O2/c1-12-13(9-14(18-12)10-15-2)11-17-8-7-16-5-3-4-6-16/h9,15H,3-8,10-11H2,1-2H3
InChIKeyKCRFJKOSJSGPPP-UHFFFAOYSA-N
XLogP1.92
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.92
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-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine (CID 55076653) is N-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine is CNCc1cc(COCCN2CCCC2)c(C)o1.
What is the InChIKey of N-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine?
The InChIKey is KCRFJKOSJSGPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12-13(9-14(18-12)10-15-2)11-17-8-7-16-5-3-4-6-16/h9,15H,3-8,10-11H2,1-2H3.
What are the key properties of N-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine?
N-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine has a molecular weight of 252.36 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 55076653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).