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

C13H22N2O — CID 63218433

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESCC1(C)CCCN1CCNCc1ccco1
InChIInChI=1S/C13H22N2O/c1-13(2)6-4-8-15(13)9-7-14-11-12-5-3-10-16-12/h3,5,10,14H,4,6-9,11H2,1-2H3
InChIKeyUXTXTMRBPNZYJY-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.24
Rot. Bonds5

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

2-(2,2-dimethylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 63218433) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
PubChem CID63218433
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESCC1(C)CCCN1CCNCc1ccco1
InChIInChI=1S/C13H22N2O/c1-13(2)6-4-8-15(13)9-7-14-11-12-5-3-10-16-12/h3,5,10,14H,4,6-9,11H2,1-2H3
InChIKeyUXTXTMRBPNZYJY-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
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

2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63163129
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 22213998
2-(4-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 62556363
2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 60958081
2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63619827
1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine
CID 64679316
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
1-(furan-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115696278
N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine
CID 62562532
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 83221323
N-(cyclopentylmethyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63218528
1-(azepan-1-yl)-3-(furan-2-ylmethylamino)propan-1-one
CID 109018638

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine (CID 63218433) is 2-(2,2-dimethylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine is CC1(C)CCCN1CCNCc1ccco1.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is UXTXTMRBPNZYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2)6-4-8-15(13)9-7-14-11-12-5-3-10-16-12/h3,5,10,14H,4,6-9,11H2,1-2H3.
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
2-(2,2-dimethylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 63218433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).