1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine

C12H19NO — CID 105000824

IUPAC1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine
SMILESC=CC(NCCC)c1ccc(CC)o1
InChIInChI=1S/C12H19NO/c1-4-9-13-11(6-3)12-8-7-10(5-2)14-12/h6-8,11,13H,3-5,9H2,1-2H3
InChIKeyMPDYSLBBHSCZFJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.07
Rot. Bonds6

About 1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine

1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine (PubChem CID 105000824) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine
PubChem CID105000824
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine
SMILESC=CC(NCCC)c1ccc(CC)o1
InChIInChI=1S/C12H19NO/c1-4-9-13-11(6-3)12-8-7-10(5-2)14-12/h6-8,11,13H,3-5,9H2,1-2H3
InChIKeyMPDYSLBBHSCZFJ-UHFFFAOYSA-N
XLogP3.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004037
1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine
CID 63505068
1-(5-ethylfuran-2-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 113422024
N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029341
1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine
CID 104805750
N-[(5-ethylfuran-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 55061752
N-[(5-ethylfuran-2-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 62906032
N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 115861459
N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 102828702
N-[(2,4-difluorophenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 62345873
N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 81156942
N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63210049

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine (CID 105000824) is 1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine is C=CC(NCCC)c1ccc(CC)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine?
The InChIKey is MPDYSLBBHSCZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-9-13-11(6-3)12-8-7-10(5-2)14-12/h6-8,11,13H,3-5,9H2,1-2H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine?
1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 105000824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).