1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine

C13H22N2O — CID 164631298

IUPAC1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine
SMILESCCN1CCC[C@@H]1CN(C)Cc1ccoc1
InChIInChI=1S/C13H22N2O/c1-3-15-7-4-5-13(15)10-14(2)9-12-6-8-16-11-12/h6,8,11,13H,3-5,7,9-10H2,1-2H3/t13-/m1/s1
InChIKeyKOPVSQLMDITBAQ-CYBMUJFWSA-N
MW222.33 g/mol
LogP2.20
Rot. Bonds5

About 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine

1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine (PubChem CID 164631298) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine
PubChem CID164631298
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine
SMILESCCN1CCC[C@@H]1CN(C)Cc1ccoc1
InChIInChI=1S/C13H22N2O/c1-3-15-7-4-5-13(15)10-14(2)9-12-6-8-16-11-12/h6,8,11,13H,3-5,7,9-10H2,1-2H3/t13-/m1/s1
InChIKeyKOPVSQLMDITBAQ-CYBMUJFWSA-N
XLogP2.20
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine?
The IUPAC name of 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine (CID 164631298) is 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine is CCN1CCC[C@@H]1CN(C)Cc1ccoc1.
What is the InChIKey of 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine?
The InChIKey is KOPVSQLMDITBAQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-15-7-4-5-13(15)10-14(2)9-12-6-8-16-11-12/h6,8,11,13H,3-5,7,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine?
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine is sourced from PubChem (CID 164631298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).