N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine

C12H20N2O2 — CID 115710716

IUPACN-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine
SMILESCOCc1ccc(CNC2CCN(C)C2)o1
InChIInChI=1S/C12H20N2O2/c1-14-6-5-10(8-14)13-7-11-3-4-12(16-11)9-15-2/h3-4,10,13H,5-9H2,1-2H3
InChIKeyJRZPEKWCQYXVJL-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.22
Rot. Bonds5

About N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine

N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine (PubChem CID 115710716) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine
PubChem CID115710716
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine
SMILESCOCc1ccc(CNC2CCN(C)C2)o1
InChIInChI=1S/C12H20N2O2/c1-14-6-5-10(8-14)13-7-11-3-4-12(16-11)9-15-2/h3-4,10,13H,5-9H2,1-2H3
InChIKeyJRZPEKWCQYXVJL-UHFFFAOYSA-N
XLogP1.22
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine (CID 115710716) is N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine is COCc1ccc(CNC2CCN(C)C2)o1.
What is the InChIKey of N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine?
The InChIKey is JRZPEKWCQYXVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14-6-5-10(8-14)13-7-11-3-4-12(16-11)9-15-2/h3-4,10,13H,5-9H2,1-2H3.
What are the key properties of N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine?
N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine has a molecular weight of 224.30 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 115710716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).