1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine

C14H24N2O — CID 60698146

IUPAC1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine
SMILESCc1ccc(C(C)NCCN2CCCCC2)o1
InChIInChI=1S/C14H24N2O/c1-12-6-7-14(17-12)13(2)15-8-11-16-9-4-3-5-10-16/h6-7,13,15H,3-5,8-11H2,1-2H3
InChIKeyQFSDMBWNKYCOMG-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.72
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine

1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine (PubChem CID 60698146) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine
PubChem CID60698146
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine
SMILESCc1ccc(C(C)NCCN2CCCCC2)o1
InChIInChI=1S/C14H24N2O/c1-12-6-7-14(17-12)13(2)15-8-11-16-9-4-3-5-10-16/h6-7,13,15H,3-5,8-11H2,1-2H3
InChIKeyQFSDMBWNKYCOMG-UHFFFAOYSA-N
XLogP2.72
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54860988
1-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178917
N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204980
1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 54917373
N-[1-(5-methylfuran-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 43205640
N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61239803
1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717489
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-pyrrolidin-1-ylbutan-1-amine
CID 43207823
2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60673238
N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61240183
N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43103195
1-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 104578489

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine (CID 60698146) is 1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine is Cc1ccc(C(C)NCCN2CCCCC2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine?
The InChIKey is QFSDMBWNKYCOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12-6-7-14(17-12)13(2)15-8-11-16-9-4-3-5-10-16/h6-7,13,15H,3-5,8-11H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine?
1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine is sourced from PubChem (CID 60698146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).