N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine

C13H23NO2 — CID 62450269

IUPACN-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine
SMILESCCCCCOCc1cc(CNCC)co1
InChIInChI=1S/C13H23NO2/c1-3-5-6-7-15-11-13-8-12(10-16-13)9-14-4-2/h8,10,14H,3-7,9,11H2,1-2H3
InChIKeyJZODVQJHENSMQF-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.10
Rot. Bonds9

About N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine

N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine (PubChem CID 62450269) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine
PubChem CID62450269
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine
SMILESCCCCCOCc1cc(CNCC)co1
InChIInChI=1S/C13H23NO2/c1-3-5-6-7-15-11-13-8-12(10-16-13)9-14-4-2/h8,10,14H,3-7,9,11H2,1-2H3
InChIKeyJZODVQJHENSMQF-UHFFFAOYSA-N
XLogP3.10
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine
CID 66227074
N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]ethanamine
CID 114470778
N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62451891
[5-(butoxymethyl)furan-3-yl]methanamine
CID 62451528
N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine
CID 62486002
N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62548921
N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
CID 62455820
N-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine
CID 82832395
5-(hexoxymethyl)furan-3-carboxylic acid
CID 62269922
N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452104
N-[[5-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62451469
N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine
CID 62455259

Frequently Asked Questions

What is the IUPAC name of N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine (CID 62450269) is N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine is CCCCCOCc1cc(CNCC)co1.
What is the InChIKey of N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine?
The InChIKey is JZODVQJHENSMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-5-6-7-15-11-13-8-12(10-16-13)9-14-4-2/h8,10,14H,3-7,9,11H2,1-2H3.
What are the key properties of N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine?
N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine has a molecular weight of 225.33 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62450269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).