3-ethyl-N-methyl-1-(3-methylfuran-2-yl)pentan-1-amine

C13H23NO — CID 104805125

IUPAC3-ethyl-N-methyl-1-(3-methylfuran-2-yl)pentan-1-amine
SMILESCCC(CC)CC(NC)c1occc1C
InChIInChI=1S/C13H23NO/c1-5-11(6-2)9-12(14-4)13-10(3)7-8-15-13/h7-8,11-12,14H,5-6,9H2,1-4H3
InChIKeyUTQMYUGIBZEGTL-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.67
Rot. Bonds6

About 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)pentan-1-amine

3-ethyl-N-methyl-1-(3-methylfuran-2-yl)pentan-1-amine (PubChem CID 104805125) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1-(3-methylfuran-2-yl)pentan-1-amine
PubChem CID104805125
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-ethyl-N-methyl-1-(3-methylfuran-2-yl)pentan-1-amine
SMILESCCC(CC)CC(NC)c1occc1C
InChIInChI=1S/C13H23NO/c1-5-11(6-2)9-12(14-4)13-10(3)7-8-15-13/h7-8,11-12,14H,5-6,9H2,1-4H3
InChIKeyUTQMYUGIBZEGTL-UHFFFAOYSA-N
XLogP3.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine
CID 113455219
2-ethoxy-N-methyl-1-(3-methylfuran-2-yl)ethanamine
CID 104804689
[3-ethyl-1-(3-methylfuran-2-yl)heptyl]hydrazine
CID 105269334
N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine
CID 104805164
1-(3-methylfuran-2-yl)-N-propylpropan-1-amine
CID 104805698
2-(3,5-difluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
CID 105406977
2-butan-2-yl-3-methylfuran
CID 89080868
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
CID 104804919
N-ethyl-5-methyl-1-(3-methylfuran-2-yl)hexan-1-amine
CID 104805236
N-ethyl-2-(furan-3-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104805287
3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine
CID 82922386
N-methyl-1-(3-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine
CID 66448517

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)pentan-1-amine?
The IUPAC name of 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)pentan-1-amine (CID 104805125) is 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)pentan-1-amine.
What is the SMILES notation for 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)pentan-1-amine?
The canonical SMILES for 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)pentan-1-amine is CCC(CC)CC(NC)c1occc1C.
What is the InChIKey of 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)pentan-1-amine?
The InChIKey is UTQMYUGIBZEGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-11(6-2)9-12(14-4)13-10(3)7-8-15-13/h7-8,11-12,14H,5-6,9H2,1-4H3.
What are the key properties of 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)pentan-1-amine?
3-ethyl-N-methyl-1-(3-methylfuran-2-yl)pentan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-1-(3-methylfuran-2-yl)pentan-1-amine is sourced from PubChem (CID 104805125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).