2-(5-pentan-3-ylfuran-2-yl)ethanamine

C11H19NO — CID 83828417

IUPAC2-(5-pentan-3-ylfuran-2-yl)ethanamine
SMILESCCC(CC)c1ccc(CCN)o1
InChIInChI=1S/C11H19NO/c1-3-9(4-2)11-6-5-10(13-11)7-8-12/h5-6,9H,3-4,7-8,12H2,1-2H3
InChIKeyPWKUEGSLOUBWFZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.68
Rot. Bonds5

About 2-(5-pentan-3-ylfuran-2-yl)ethanamine

2-(5-pentan-3-ylfuran-2-yl)ethanamine (PubChem CID 83828417) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(5-pentan-3-ylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-pentan-3-ylfuran-2-yl)ethanamine
PubChem CID83828417
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(5-pentan-3-ylfuran-2-yl)ethanamine
SMILESCCC(CC)c1ccc(CCN)o1
InChIInChI=1S/C11H19NO/c1-3-9(4-2)11-6-5-10(13-11)7-8-12/h5-6,9H,3-4,7-8,12H2,1-2H3
InChIKeyPWKUEGSLOUBWFZ-UHFFFAOYSA-N
XLogP2.68
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethylfuran-2-yl)ethanamine
CID 62346486
N-methyl-1-(5-pentan-3-ylfuran-2-yl)methanamine
CID 83828415
(1R)-1-(5-propylfuran-2-yl)ethanamine
CID 55276381
5-(2-aminoethyl)-N,N-dimethylfuran-2-amine
CID 55253433
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
2-[5-(trifluoromethyl)furan-2-yl]ethanamine
CID 82409788
2-cyclopenta[b]pyran-2-ylethanamine
CID 57356023
[5-[1-[5-(aminomethyl)furan-2-yl]butyl]furan-2-yl]methanamine
CID 10243742
2-[5-(2-bromophenyl)furan-2-yl]ethanamine
CID 170869026
(1R)-N-methyl-1-(5-propylfuran-2-yl)ethanamine
CID 55276658
2-hexyl-5-propan-2-ylfuran
CID 11615340
1-[5-(aminomethyl)furan-2-yl]-N,N-diethylethanamine
CID 105450223

Frequently Asked Questions

What is the IUPAC name of 2-(5-pentan-3-ylfuran-2-yl)ethanamine?
The IUPAC name of 2-(5-pentan-3-ylfuran-2-yl)ethanamine (CID 83828417) is 2-(5-pentan-3-ylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(5-pentan-3-ylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(5-pentan-3-ylfuran-2-yl)ethanamine is CCC(CC)c1ccc(CCN)o1.
What is the InChIKey of 2-(5-pentan-3-ylfuran-2-yl)ethanamine?
The InChIKey is PWKUEGSLOUBWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-9(4-2)11-6-5-10(13-11)7-8-12/h5-6,9H,3-4,7-8,12H2,1-2H3.
What are the key properties of 2-(5-pentan-3-ylfuran-2-yl)ethanamine?
2-(5-pentan-3-ylfuran-2-yl)ethanamine has a molecular weight of 181.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pentan-3-ylfuran-2-yl)ethanamine is sourced from PubChem (CID 83828417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).