N-(furan-2-ylmethyl)-2-(3-methylbut-3-enoxy)ethanamine

C12H19NO2 — CID 114470894

IUPACN-(furan-2-ylmethyl)-2-(3-methylbut-3-enoxy)ethanamine
SMILESC=C(C)CCOCCNCc1ccco1
InChIInChI=1S/C12H19NO2/c1-11(2)5-8-14-9-6-13-10-12-4-3-7-15-12/h3-4,7,13H,1,5-6,8-10H2,2H3
InChIKeyYAWQZCQKOOQVGX-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.35
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-(3-methylbut-3-enoxy)ethanamine

N-(furan-2-ylmethyl)-2-(3-methylbut-3-enoxy)ethanamine (PubChem CID 114470894) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-methylbut-3-enoxy)ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-methylbut-3-enoxy)ethanamine
PubChem CID114470894
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(furan-2-ylmethyl)-2-(3-methylbut-3-enoxy)ethanamine
SMILESC=C(C)CCOCCNCc1ccco1
InChIInChI=1S/C12H19NO2/c1-11(2)5-8-14-9-6-13-10-12-4-3-7-15-12/h3-4,7,13H,1,5-6,8-10H2,2H3
InChIKeyYAWQZCQKOOQVGX-UHFFFAOYSA-N
XLogP2.35
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Furfurylamine
CID 3438
Furfenorex
CID 26762
1-(2-Furoyl)piperazine
CID 550206
2-(Furan-2-yl)-1,3-thiazolidine
CID 593153
2-Furanmethanaminium, N,N,N-trimethyl-, iodide (1:1)
CID 10937
N-(2-Furylmethyl)benzamide
CID 236716
5-Methylfurtrethonium
CID 4141
N,N,N-Trimethyl-2-furanmethanaminium
CID 10938
2-Furanmethanaminium, N,N,N,5-tetramethyl-, iodide (1:1)
CID 70973
Furfurylamine, alpha-benzyl-N-ethyl-
CID 52652
Propanedinitrile, (((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)amino)ethyl)amino)(methylamino)methylene)-
CID 3077644
Furfurylamphetamine
CID 18116

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-methylbut-3-enoxy)ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-methylbut-3-enoxy)ethanamine (CID 114470894) is N-(furan-2-ylmethyl)-2-(3-methylbut-3-enoxy)ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-methylbut-3-enoxy)ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-methylbut-3-enoxy)ethanamine is C=C(C)CCOCCNCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-methylbut-3-enoxy)ethanamine?
The InChIKey is YAWQZCQKOOQVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-11(2)5-8-14-9-6-13-10-12-4-3-7-15-12/h3-4,7,13H,1,5-6,8-10H2,2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(3-methylbut-3-enoxy)ethanamine?
N-(furan-2-ylmethyl)-2-(3-methylbut-3-enoxy)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-methylbut-3-enoxy)ethanamine is sourced from PubChem (CID 114470894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).