2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine

C13H22N2O — CID 79183774

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine
SMILESCC1CN(CCNCc2ccoc2)CC1C
InChIInChI=1S/C13H22N2O/c1-11-8-15(9-12(11)2)5-4-14-7-13-3-6-16-10-13/h3,6,10-12,14H,4-5,7-9H2,1-2H3
InChIKeyVUVBZOMGOUNNHV-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.96
Rot. Bonds5

About 2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine

2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine (PubChem CID 79183774) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine
PubChem CID79183774
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine
SMILESCC1CN(CCNCc2ccoc2)CC1C
InChIInChI=1S/C13H22N2O/c1-11-8-15(9-12(11)2)5-4-14-7-13-3-6-16-10-13/h3,6,10-12,14H,4-5,7-9H2,1-2H3
InChIKeyVUVBZOMGOUNNHV-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-3-ylmethyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 62574262
1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 55160308
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
N-(furan-3-ylmethyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63864393
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
2-(2-ethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine
CID 62573323
N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 55182404
N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62576103
1-[2-(furan-3-ylmethylamino)ethyl]-3-propan-2-ylimidazol-2-one
CID 80582315
2-(azetidin-3-yl)-N-(furan-3-ylmethyl)ethanamine
CID 116680458
N-(furan-3-ylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754097
N-(furan-3-ylmethyl)-3-methoxypropan-1-amine
CID 62997873

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine (CID 79183774) is 2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine is CC1CN(CCNCc2ccoc2)CC1C.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine?
The InChIKey is VUVBZOMGOUNNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-8-15(9-12(11)2)5-4-14-7-13-3-6-16-10-13/h3,6,10-12,14H,4-5,7-9H2,1-2H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine?
2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine has a molecular weight of 222.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine is sourced from PubChem (CID 79183774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).