1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine

C12H20N2O — CID 63001258

IUPAC1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine
SMILESCCN1CCC(CNCc2ccoc2)C1
InChIInChI=1S/C12H20N2O/c1-2-14-5-3-11(9-14)7-13-8-12-4-6-15-10-12/h4,6,10-11,13H,2-3,5,7-9H2,1H3
InChIKeyRPZYTNXXNFMPBZ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.71
Rot. Bonds5

About 1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine

1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine (PubChem CID 63001258) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine
PubChem CID63001258
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine
SMILESCCN1CCC(CNCc2ccoc2)C1
InChIInChI=1S/C12H20N2O/c1-2-14-5-3-11(9-14)7-13-8-12-4-6-15-10-12/h4,6,10-11,13H,2-3,5,7-9H2,1H3
InChIKeyRPZYTNXXNFMPBZ-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine (CID 63001258) is 1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine is CCN1CCC(CNCc2ccoc2)C1.
What is the InChIKey of 1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine?
The InChIKey is RPZYTNXXNFMPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-14-5-3-11(9-14)7-13-8-12-4-6-15-10-12/h4,6,10-11,13H,2-3,5,7-9H2,1H3.
What are the key properties of 1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine?
1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine has a molecular weight of 208.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine is sourced from PubChem (CID 63001258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).