1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine

C12H20N2O — CID 62511459

IUPAC1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(CCc2ccco2)C1
InChIInChI=1S/C12H20N2O/c1-13-9-11-4-6-14(10-11)7-5-12-3-2-8-15-12/h2-3,8,11,13H,4-7,9-10H2,1H3
InChIKeyVGGORMZMJVNPNA-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.36
Rot. Bonds5

About 1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine

1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 62511459) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID62511459
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(CCc2ccco2)C1
InChIInChI=1S/C12H20N2O/c1-13-9-11-4-6-14(10-11)7-5-12-3-2-8-15-12/h2-3,8,11,13H,4-7,9-10H2,1H3
InChIKeyVGGORMZMJVNPNA-UHFFFAOYSA-N
XLogP1.36
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(furan-2-ylmethyl)pyrrolidine
CID 130727430
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62615965
1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263347
1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine
CID 63250602
4-[2-(furan-2-yl)ethyl]-1-methylpiperidine
CID 23800356
1-[1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 81493001
1-(furan-2-ylmethyl)-2-methyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 110934528
N-[1-(furan-2-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 55168863
1-[1-[1-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512099
N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine
CID 63267521
1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55081380

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine (CID 62511459) is 1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(CCc2ccco2)C1.
What is the InChIKey of 1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is VGGORMZMJVNPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-9-11-4-6-14(10-11)7-5-12-3-2-8-15-12/h2-3,8,11,13H,4-7,9-10H2,1H3.
What are the key properties of 1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 208.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62511459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).