1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine

C15H26N2O — CID 115717489

IUPAC1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NCCC2CCN(C)CC2)o1
InChIInChI=1S/C15H26N2O/c1-12-4-5-15(18-12)13(2)16-9-6-14-7-10-17(3)11-8-14/h4-5,13-14,16H,6-11H2,1-3H3
InChIKeyNVBPFLFYHLKZRZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.97
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine

1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine (PubChem CID 115717489) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
PubChem CID115717489
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NCCC2CCN(C)CC2)o1
InChIInChI=1S/C15H26N2O/c1-12-4-5-15(18-12)13(2)16-9-6-14-7-10-17(3)11-8-14/h4-5,13-14,16H,6-11H2,1-3H3
InChIKeyNVBPFLFYHLKZRZ-UHFFFAOYSA-N
XLogP2.97
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.97
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
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106758148
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 54898654
1-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178917
N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43298426
1-(5-methylfuran-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 113364696
N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204980
1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
CID 115707104
1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 114515232
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol
CID 114515122
N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 63242718
4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106125036

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine (CID 115717489) is 1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine is Cc1ccc(C(C)NCCC2CCN(C)CC2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine?
The InChIKey is NVBPFLFYHLKZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-4-5-15(18-12)13(2)16-9-6-14-7-10-17(3)11-8-14/h4-5,13-14,16H,6-11H2,1-3H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine?
1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 2.97, 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-(1-methylpiperidin-4-yl)ethyl]ethanamine is sourced from PubChem (CID 115717489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).