2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine

C14H24N2O — CID 63142896

IUPAC2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCCC1(CNCCc2ccco2)CCNC1
InChIInChI=1S/C14H24N2O/c1-2-6-14(7-9-16-12-14)11-15-8-5-13-4-3-10-17-13/h3-4,10,15-16H,2,5-9,11-12H2,1H3
InChIKeyDSIMKKDDZVFICU-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.19
Rot. Bonds7

About 2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine

2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 63142896) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID63142896
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCCC1(CNCCc2ccco2)CCNC1
InChIInChI=1S/C14H24N2O/c1-2-6-14(7-9-16-12-14)11-15-8-5-13-4-3-10-17-13/h3-4,10,15-16H,2,5-9,11-12H2,1H3
InChIKeyDSIMKKDDZVFICU-UHFFFAOYSA-N
XLogP2.19
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine
CID 63143229
1-(furan-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115696278
1-(furan-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine
CID 63133032
[1-[[2-(furan-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412953
1-(3-methyl-1,2-oxazol-5-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 55164393
2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570610
3-ethyl-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 63130359
2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 116679693
N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62997767
1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63142842
4-[1-[[2-(furan-2-yl)ethylamino]methyl]cyclopropyl]aniline
CID 112558089
N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 63000497

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine (CID 63142896) is 2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine is CCCC1(CNCCc2ccco2)CCNC1.
What is the InChIKey of 2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is DSIMKKDDZVFICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-6-14(7-9-16-12-14)11-15-8-5-13-4-3-10-17-13/h3-4,10,15-16H,2,5-9,11-12H2,1H3.
What are the key properties of 2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine?
2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 63142896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).