1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine

C13H22N2O — CID 62524561

IUPAC1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(Cc2ccc(C)o2)C1
InChIInChI=1S/C13H22N2O/c1-3-7-14-12-6-8-15(9-12)10-13-5-4-11(2)16-13/h4-5,12,14H,3,6-10H2,1-2H3
InChIKeyMURHXYUIRZPAJF-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.16
Rot. Bonds5

About 1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine

1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine (PubChem CID 62524561) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine
PubChem CID62524561
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(Cc2ccc(C)o2)C1
InChIInChI=1S/C13H22N2O/c1-3-7-14-12-6-8-15(9-12)10-13-5-4-11(2)16-13/h4-5,12,14H,3,6-10H2,1-2H3
InChIKeyMURHXYUIRZPAJF-UHFFFAOYSA-N
XLogP2.16
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-methylfuran-2-yl)methyl]-N-propylpiperidin-4-amine
CID 62524387
N-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-amine
CID 62524559
N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 54793664
(3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide
CID 99782185
N-propyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 60860967
1-[(5-methylfuran-2-yl)methyl]piperidin-3-ol
CID 62022683
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine
CID 63280699
1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine
CID 114139701
1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 43555074
(2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine
CID 3246663
3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine
CID 64952375
1-[2-(2-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 43315228

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine (CID 62524561) is 1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine is CCCNC1CCN(Cc2ccc(C)o2)C1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is MURHXYUIRZPAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-7-14-12-6-8-15(9-12)10-13-5-4-11(2)16-13/h4-5,12,14H,3,6-10H2,1-2H3.
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine?
1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 222.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 62524561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).