[2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine

C13H22N2O — CID 62413261

IUPAC[2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine
SMILESCCC1CCN(Cc2occc2CN)CC1
InChIInChI=1S/C13H22N2O/c1-2-11-3-6-15(7-4-11)10-13-12(9-14)5-8-16-13/h5,8,11H,2-4,6-7,9-10,14H2,1H3
InChIKeyXBQMJCOZKNKXCM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.36
Rot. Bonds4

About [2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine

[2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine (PubChem CID 62413261) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine
PubChem CID62413261
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine
SMILESCCC1CCN(Cc2occc2CN)CC1
InChIInChI=1S/C13H22N2O/c1-2-11-3-6-15(7-4-11)10-13-12(9-14)5-8-16-13/h5,8,11H,2-4,6-7,9-10,14H2,1H3
InChIKeyXBQMJCOZKNKXCM-UHFFFAOYSA-N
XLogP2.36
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine
CID 62437744
1-[3-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62413262
[2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 103539631
[2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine
CID 65286568
[2-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-3-yl]methanamine
CID 62774641
[2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine
CID 62930301
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine
CID 79945485
N-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62438395
[2-[(2-propylpiperidin-1-yl)methyl]furan-3-yl]methanamine
CID 83062329
[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine
CID 62423499
[5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107878208
[2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine
CID 62424428

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine?
The IUPAC name of [2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine (CID 62413261) is [2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine?
The canonical SMILES for [2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine is CCC1CCN(Cc2occc2CN)CC1.
What is the InChIKey of [2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine?
The InChIKey is XBQMJCOZKNKXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-11-3-6-15(7-4-11)10-13-12(9-14)5-8-16-13/h5,8,11H,2-4,6-7,9-10,14H2,1H3.
What are the key properties of [2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine?
[2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine has a molecular weight of 222.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62413261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).