1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine

C13H23N3O — CID 55160308

IUPAC1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CCNCc2ccoc2)C1
InChIInChI=1S/C13H23N3O/c1-15(2)13-3-6-16(10-13)7-5-14-9-12-4-8-17-11-12/h4,8,11,13-14H,3,5-7,9-10H2,1-2H3
InChIKeyXLFBMLHQDONMGM-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.01
Rot. Bonds6

About 1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 55160308) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID55160308
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CCNCc2ccoc2)C1
InChIInChI=1S/C13H23N3O/c1-15(2)13-3-6-16(10-13)7-5-14-9-12-4-8-17-11-12/h4,8,11,13-14H,3,5-7,9-10H2,1-2H3
InChIKeyXLFBMLHQDONMGM-UHFFFAOYSA-N
XLogP1.01
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine
CID 79183774
N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62576103
N-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 62559702
N-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 55175004
N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine
CID 63167356
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
1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 63001258
N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine
CID 62559867
N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine
CID 63167526
3-N-(furan-3-ylmethyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 115677937

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 55160308) is 1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(CCNCc2ccoc2)C1.
What is the InChIKey of 1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is XLFBMLHQDONMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-15(2)13-3-6-16(10-13)7-5-14-9-12-4-8-17-11-12/h4,8,11,13-14H,3,5-7,9-10H2,1-2H3.
What are the key properties of 1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 237.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 55160308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).