N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine

C14H24N2O2 — CID 55077090

IUPACN-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine
SMILESCNCc1ccc(COCCC2CCCN2C)o1
InChIInChI=1S/C14H24N2O2/c1-15-10-13-5-6-14(18-13)11-17-9-7-12-4-3-8-16(12)2/h5-6,12,15H,3-4,7-11H2,1-2H3
InChIKeyATJQOPAAKLUASG-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.00
Rot. Bonds7

About N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine

N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine (PubChem CID 55077090) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine
PubChem CID55077090
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine
SMILESCNCc1ccc(COCCC2CCCN2C)o1
InChIInChI=1S/C14H24N2O2/c1-15-10-13-5-6-14(18-13)11-17-9-7-12-4-3-8-16(12)2/h5-6,12,15H,3-4,7-11H2,1-2H3
InChIKeyATJQOPAAKLUASG-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
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-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine (CID 55077090) is N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine is CNCc1ccc(COCCC2CCCN2C)o1.
What is the InChIKey of N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine?
The InChIKey is ATJQOPAAKLUASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-15-10-13-5-6-14(18-13)11-17-9-7-12-4-3-8-16(12)2/h5-6,12,15H,3-4,7-11H2,1-2H3.
What are the key properties of N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine?
N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine has a molecular weight of 252.36 g/mol, XLogP of 2.00, 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-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine is sourced from PubChem (CID 55077090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).