N-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine

C12H21NO — CID 115704790

IUPACN-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine
SMILESCCc1ccc(C(C)NCC(C)C)o1
InChIInChI=1S/C12H21NO/c1-5-11-6-7-12(14-11)10(4)13-8-9(2)3/h6-7,9-10,13H,5,8H2,1-4H3
InChIKeyJJWLRMIDWKIMNN-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.15
Rot. Bonds5

About N-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine

N-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine (PubChem CID 115704790) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine
PubChem CID115704790
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine
SMILESCCc1ccc(C(C)NCC(C)C)o1
InChIInChI=1S/C12H21NO/c1-5-11-6-7-12(14-11)10(4)13-8-9(2)3/h6-7,9-10,13H,5,8H2,1-4H3
InChIKeyJJWLRMIDWKIMNN-UHFFFAOYSA-N
XLogP3.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717072
(1S)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 94399040
1-(5-ethylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 75515317
2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol
CID 115707279
1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 115726406
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
(3R)-3-[1-(5-ethylfuran-2-yl)ethylamino]butan-1-ol
CID 103871772
1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine
CID 62346389
(1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-(5-ethylfuran-2-yl)ethanamine
CID 97103611
(3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol
CID 97108238
(1S)-1-(5-ethylfuran-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine
CID 97322477
3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide
CID 115867806

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine (CID 115704790) is N-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine is CCc1ccc(C(C)NCC(C)C)o1.
What is the InChIKey of N-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine?
The InChIKey is JJWLRMIDWKIMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-11-6-7-12(14-11)10(4)13-8-9(2)3/h6-7,9-10,13H,5,8H2,1-4H3.
What are the key properties of N-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine?
N-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115704790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).