1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine

C14H23NO — CID 105004037

IUPAC1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)c1ccc(CC)o1
InChIInChI=1S/C14H23NO/c1-5-9-15-13(10-11(3)4)14-8-7-12(6-2)16-14/h7-8,13,15H,3,5-6,9-10H2,1-2,4H3
InChIKeyAKLBCLASXHFNDW-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.85
Rot. Bonds7

About 1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine

1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine (PubChem CID 105004037) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine
PubChem CID105004037
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)c1ccc(CC)o1
InChIInChI=1S/C14H23NO/c1-5-9-15-13(10-11(3)4)14-8-7-12(6-2)16-14/h7-8,13,15H,3,5-6,9-10H2,1-2,4H3
InChIKeyAKLBCLASXHFNDW-UHFFFAOYSA-N
XLogP3.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.85
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

N-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine
CID 105004038
3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine
CID 105004178
N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029341
1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol
CID 115816917
1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616165
N-[2-(4-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine
CID 115847777
1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine
CID 105000824
N-[2-(2-chloro-4-methylphenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine
CID 106867205
N-[2-(4-chloro-3-fluorophenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine
CID 107892231
N-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009280
[1-(5-ethylfuran-2-yl)-3-methylidenepentyl]hydrazine
CID 105320395
1-(3,4-dimethylphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004182

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine (CID 105004037) is 1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine is C=C(C)CC(NCCC)c1ccc(CC)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine?
The InChIKey is AKLBCLASXHFNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-9-15-13(10-11(3)4)14-8-7-12(6-2)16-14/h7-8,13,15H,3,5-6,9-10H2,1-2,4H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine?
1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.85, 7 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)-3-methyl-N-propylbut-3-en-1-amine is sourced from PubChem (CID 105004037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).