N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine

C12H20N2O — CID 63143229

IUPACN-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine
SMILESCCC1(CNCc2ccco2)CCNC1
InChIInChI=1S/C12H20N2O/c1-2-12(5-6-13-9-12)10-14-8-11-4-3-7-15-11/h3-4,7,13-14H,2,5-6,8-10H2,1H3
InChIKeyRSPOXGBYASNZEK-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.76
Rot. Bonds5

About N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine

N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine (PubChem CID 63143229) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine
PubChem CID63143229
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine
SMILESCCC1(CNCc2ccco2)CCNC1
InChIInChI=1S/C12H20N2O/c1-2-12(5-6-13-9-12)10-14-8-11-4-3-7-15-11/h3-4,7,13-14H,2,5-6,8-10H2,1H3
InChIKeyRSPOXGBYASNZEK-UHFFFAOYSA-N
XLogP1.76
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
CID 63142896
1-(furan-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115696278
3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 63140952
2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63163129
N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 63000497
1-(3-methyl-1,2-oxazol-5-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 55164393
1-(furan-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine
CID 63133032
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 105418195
1-(furan-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63142842
N-(furan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710906
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63143226

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine (CID 63143229) is N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine is CCC1(CNCc2ccco2)CCNC1.
What is the InChIKey of N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine?
The InChIKey is RSPOXGBYASNZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-12(5-6-13-9-12)10-14-8-11-4-3-7-15-11/h3-4,7,13-14H,2,5-6,8-10H2,1H3.
What are the key properties of N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine?
N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine has a molecular weight of 208.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 63143229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).