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

C13H23NO — CID 79830952

IUPACN-ethyl-3-(5-ethylfuran-2-yl)-3-methylbutan-1-amine
SMILESCCNCCC(C)(C)c1ccc(CC)o1
InChIInChI=1S/C13H23NO/c1-5-11-7-8-12(15-11)13(3,4)9-10-14-6-2/h7-8,14H,5-6,9-10H2,1-4H3
InChIKeyPEDMDYTWDCAMSY-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.12
Rot. Bonds6

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

N-ethyl-3-(5-ethylfuran-2-yl)-3-methylbutan-1-amine (PubChem CID 79830952) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-ethyl-3-(5-ethylfuran-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(5-ethylfuran-2-yl)-3-methylbutan-1-amine
PubChem CID79830952
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-ethyl-3-(5-ethylfuran-2-yl)-3-methylbutan-1-amine
SMILESCCNCCC(C)(C)c1ccc(CC)o1
InChIInChI=1S/C13H23NO/c1-5-11-7-8-12(15-11)13(3,4)9-10-14-6-2/h7-8,14H,5-6,9-10H2,1-4H3
InChIKeyPEDMDYTWDCAMSY-UHFFFAOYSA-N
XLogP3.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(4-iodophenyl)-3-methylbutan-1-amine
CID 79830111
3-(5-ethylfuran-2-yl)-3-methylbutanoic acid
CID 79830183
N-ethyl-3-(4-fluorophenyl)-3-methylbutan-1-amine
CID 79830560
3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine
CID 79829851
N-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine
CID 115206193
N-ethyl-3-(5-ethylthiophen-2-yl)-3-methylbutan-1-amine
CID 79830389
2-(5-ethylfuran-2-yl)butan-2-ol
CID 134860320
N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine
CID 79830405
3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830298
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830115
N-ethyl-3-methyl-3-(2,3,4-trifluorophenyl)butan-1-amine
CID 81021760
N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
CID 66260373

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-ethylfuran-2-yl)-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-3-(5-ethylfuran-2-yl)-3-methylbutan-1-amine (CID 79830952) is N-ethyl-3-(5-ethylfuran-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-3-(5-ethylfuran-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-3-(5-ethylfuran-2-yl)-3-methylbutan-1-amine is CCNCCC(C)(C)c1ccc(CC)o1.
What is the InChIKey of N-ethyl-3-(5-ethylfuran-2-yl)-3-methylbutan-1-amine?
The InChIKey is PEDMDYTWDCAMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-11-7-8-12(15-11)13(3,4)9-10-14-6-2/h7-8,14H,5-6,9-10H2,1-4H3.
What are the key properties of N-ethyl-3-(5-ethylfuran-2-yl)-3-methylbutan-1-amine?
N-ethyl-3-(5-ethylfuran-2-yl)-3-methylbutan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-ethylfuran-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 79830952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).