1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine

C13H24N2O — CID 115717072

IUPAC1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCCc1ccc(C(C)NCC(C)N(C)C)o1
InChIInChI=1S/C13H24N2O/c1-6-12-7-8-13(16-12)11(3)14-9-10(2)15(4)5/h7-8,10-11,14H,6,9H2,1-5H3
InChIKeyJLJLXTAZBROWBK-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.44
Rot. Bonds6

About 1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine

1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 115717072) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID115717072
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCCc1ccc(C(C)NCC(C)N(C)C)o1
InChIInChI=1S/C13H24N2O/c1-6-12-7-8-13(16-12)11(3)14-9-10(2)15(4)5/h7-8,10-11,14H,6,9H2,1-5H3
InChIKeyJLJLXTAZBROWBK-UHFFFAOYSA-N
XLogP2.44
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine
CID 115704790
(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
2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine
CID 115714157
4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
CID 61043440
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
(3R)-3-[1-(5-ethylfuran-2-yl)ethylamino]butan-1-ol
CID 103871772
1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717044
(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

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine (CID 115717072) is 1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine is CCc1ccc(C(C)NCC(C)N(C)C)o1.
What is the InChIKey of 1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is JLJLXTAZBROWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-12-7-8-13(16-12)11(3)14-9-10(2)15(4)5/h7-8,10-11,14H,6,9H2,1-5H3.
What are the key properties of 1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115717072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).