N-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine

C13H21NO — CID 105004038

IUPACN-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(NCC)c1ccc(CC)o1
InChIInChI=1S/C13H21NO/c1-5-11-7-8-13(15-11)12(14-6-2)9-10(3)4/h7-8,12,14H,3,5-6,9H2,1-2,4H3
InChIKeyAXGQSXVOZYOEQJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.46
Rot. Bonds6

About N-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine

N-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine (PubChem CID 105004038) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine
PubChem CID105004038
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(NCC)c1ccc(CC)o1
InChIInChI=1S/C13H21NO/c1-5-11-7-8-13(15-11)12(14-6-2)9-10(3)4/h7-8,12,14H,3,5-6,9H2,1-2,4H3
InChIKeyAXGQSXVOZYOEQJ-UHFFFAOYSA-N
XLogP3.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.46
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)-3-methylbut-3-en-1-ol
CID 115816917
N-ethyl-1-(5-ethylfuran-2-yl)-2-(4-ethylphenyl)ethanamine
CID 115803280
1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616165
N-ethyl-1-(5-ethylfuran-2-yl)hexan-1-amine
CID 62346766
N-ethyl-1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanamine
CID 105029929
[1-(5-ethylfuran-2-yl)-3-methylidenepentyl]hydrazine
CID 105320395
3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine
CID 105004178
N,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine
CID 115806207
2-cyclobutyl-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
CID 115863601
N-ethyl-1-(5-ethylfuran-2-yl)-4-methoxybutan-1-amine
CID 105054918
N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997720

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine?
The IUPAC name of N-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine (CID 105004038) is N-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine.
What is the SMILES notation for N-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine?
The canonical SMILES for N-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine is C=C(C)CC(NCC)c1ccc(CC)o1.
What is the InChIKey of N-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine?
The InChIKey is AXGQSXVOZYOEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-11-7-8-13(15-11)12(14-6-2)9-10(3)4/h7-8,12,14H,3,5-6,9H2,1-2,4H3.
What are the key properties of N-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine?
N-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine is sourced from PubChem (CID 105004038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).