[5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine

C14H24N2O — CID 62417803

IUPAC[5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine
SMILESCCC1CCCCN1Cc1cc(CN)c(C)o1
InChIInChI=1S/C14H24N2O/c1-3-13-6-4-5-7-16(13)10-14-8-12(9-15)11(2)17-14/h8,13H,3-7,9-10,15H2,1-2H3
InChIKeyJBWPHGYSOHSEOA-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.81
Rot. Bonds4

About [5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine

[5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine (PubChem CID 62417803) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is [5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine
PubChem CID62417803
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name[5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine
SMILESCCC1CCCCN1Cc1cc(CN)c(C)o1
InChIInChI=1S/C14H24N2O/c1-3-13-6-4-5-7-16(13)10-14-8-12(9-15)11(2)17-14/h8,13H,3-7,9-10,15H2,1-2H3
InChIKeyJBWPHGYSOHSEOA-UHFFFAOYSA-N
XLogP2.81
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 104692338
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62422888
N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 104692301
[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine
CID 55072059
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62420081
4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63572887
1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 104692232
[2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine
CID 104689110
[2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 62428192
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62887839
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55074345
2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline
CID 43266179

Frequently Asked Questions

What is the IUPAC name of [5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine?
The IUPAC name of [5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine (CID 62417803) is [5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine.
What is the SMILES notation for [5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine?
The canonical SMILES for [5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine is CCC1CCCCN1Cc1cc(CN)c(C)o1.
What is the InChIKey of [5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine?
The InChIKey is JBWPHGYSOHSEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-13-6-4-5-7-16(13)10-14-8-12(9-15)11(2)17-14/h8,13H,3-7,9-10,15H2,1-2H3.
What are the key properties of [5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine?
[5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine is sourced from PubChem (CID 62417803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).