1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine

C12H21N3O — CID 116941714

IUPAC1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine
SMILESCc1ccc(C(N)CC2CN(C)CCN2)o1
InChIInChI=1S/C12H21N3O/c1-9-3-4-12(16-9)11(13)7-10-8-15(2)6-5-14-10/h3-4,10-11,14H,5-8,13H2,1-2H3
InChIKeyYVTQMBXXGQDVJN-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.88
Rot. Bonds3

About 1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine

1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine (PubChem CID 116941714) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine
PubChem CID116941714
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine
SMILESCc1ccc(C(N)CC2CN(C)CCN2)o1
InChIInChI=1S/C12H21N3O/c1-9-3-4-12(16-9)11(13)7-10-8-15(2)6-5-14-10/h3-4,10-11,14H,5-8,13H2,1-2H3
InChIKeyYVTQMBXXGQDVJN-UHFFFAOYSA-N
XLogP0.88
TPSA54.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine
CID 116941716
N,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine
CID 115239392
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239457
1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 116956897
1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115238690
2-[2-(5-methylfuran-2-yl)propyl]pyrrolidine
CID 83907601
2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole
CID 117029756
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238743
3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine
CID 116928133
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
3-[(4-methoxyphenyl)methyl]-1-methylpiperazine
CID 82286365
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine (CID 116941714) is 1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine is Cc1ccc(C(N)CC2CN(C)CCN2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine?
The InChIKey is YVTQMBXXGQDVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-3-4-12(16-9)11(13)7-10-8-15(2)6-5-14-10/h3-4,10-11,14H,5-8,13H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine?
1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine is sourced from PubChem (CID 116941714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).