2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine

C14H24N2O — CID 83221323

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESCCC1CCC(C)N1CCNCc1ccco1
InChIInChI=1S/C14H24N2O/c1-3-13-7-6-12(2)16(13)9-8-15-11-14-5-4-10-17-14/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3
InChIKeyCOKYCGJPEUEQJD-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.63
Rot. Bonds6

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine

2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 83221323) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
PubChem CID83221323
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESCCC1CCC(C)N1CCNCc1ccco1
InChIInChI=1S/C14H24N2O/c1-3-13-7-6-12(2)16(13)9-8-15-11-14-5-4-10-17-14/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3
InChIKeyCOKYCGJPEUEQJD-UHFFFAOYSA-N
XLogP2.63
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.63
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-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
N-[(4-bromothiophen-2-yl)methyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
CID 83222044
2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63163129
N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 83221474
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 83222041
1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 115621753
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 22213998
N-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 63504153
N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine
CID 62566530
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine (CID 83221323) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine is CCC1CCC(C)N1CCNCc1ccco1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is COKYCGJPEUEQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-13-7-6-12(2)16(13)9-8-15-11-14-5-4-10-17-14/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 83221323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).