[1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine

C13H23N3O — CID 80504615

IUPAC[1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine
SMILESCCc1ccc(CN2CCN(C)CC2CN)o1
InChIInChI=1S/C13H23N3O/c1-3-12-4-5-13(17-12)10-16-7-6-15(2)9-11(16)8-14/h4-5,11H,3,6-10,14H2,1-2H3
InChIKeyNLIVWBHWJJALFB-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.92
Rot. Bonds4

About [1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine

[1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine (PubChem CID 80504615) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine
PubChem CID80504615
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine
SMILESCCc1ccc(CN2CCN(C)CC2CN)o1
InChIInChI=1S/C13H23N3O/c1-3-12-4-5-13(17-12)10-16-7-6-15(2)9-11(16)8-14/h4-5,11H,3,6-10,14H2,1-2H3
InChIKeyNLIVWBHWJJALFB-UHFFFAOYSA-N
XLogP0.92
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 99930669
[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine
CID 80505800
[4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine
CID 80505367
2-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
CID 80505653
4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
CID 80505171
2-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]-3-chlorophenol
CID 113277028
(4-methyl-1-pentylpiperazin-2-yl)methanamine
CID 80504437
ethyl 2-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]furan-3-carboxylate
CID 80506842
[4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine
CID 80505307
[1-[(2-chloro-4-fluorophenyl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 80506940
[1-[(4-chloro-3-fluorophenyl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 80504679
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine
CID 80504637

Frequently Asked Questions

What is the IUPAC name of [1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine (CID 80504615) is [1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine is CCc1ccc(CN2CCN(C)CC2CN)o1.
What is the InChIKey of [1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine?
The InChIKey is NLIVWBHWJJALFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-12-4-5-13(17-12)10-16-7-6-15(2)9-11(16)8-14/h4-5,11H,3,6-10,14H2,1-2H3.
What are the key properties of [1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine?
[1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80504615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).