N-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine

C12H19NO2 — CID 79114939

IUPACN-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine
SMILESC=CCCCOCCNCc1ccoc1
InChIInChI=1S/C12H19NO2/c1-2-3-4-7-14-9-6-13-10-12-5-8-15-11-12/h2,5,8,11,13H,1,3-4,6-7,9-10H2
InChIKeyZPVDFKWYVRNTIK-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.35
Rot. Bonds9

About N-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine

N-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine (PubChem CID 79114939) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine
PubChem CID79114939
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine
SMILESC=CCCCOCCNCc1ccoc1
InChIInChI=1S/C12H19NO2/c1-2-3-4-7-14-9-6-13-10-12-5-8-15-11-12/h2,5,8,11,13H,1,3-4,6-7,9-10H2
InChIKeyZPVDFKWYVRNTIK-UHFFFAOYSA-N
XLogP2.35
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

N-(furan-3-ylmethyl)hept-6-en-1-amine
CID 107007166
N-benzyl-2-pent-4-enoxyethanamine
CID 79114606
2-[2-(furan-3-ylmethylamino)ethoxy]ethanol
CID 63032955
3-ethoxy-N-(furan-3-ylmethyl)propan-1-amine
CID 62997867
N-(furan-3-ylmethyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450221
N-(furan-3-ylmethyl)-3-methoxypropan-1-amine
CID 62997873
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114442
2-but-3-enoxy-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 103854397
2-but-3-enoxy-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 103854452
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine
CID 79038889

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine (CID 79114939) is N-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine is C=CCCCOCCNCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine?
The InChIKey is ZPVDFKWYVRNTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-3-4-7-14-9-6-13-10-12-5-8-15-11-12/h2,5,8,11,13H,1,3-4,6-7,9-10H2.
What are the key properties of N-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine?
N-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine is sourced from PubChem (CID 79114939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).