2-(furan-3-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine

C13H23N3O — CID 114537409

IUPAC2-(furan-3-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(C(CN)c2ccoc2)CC(C)N1C
InChIInChI=1S/C13H23N3O/c1-10-7-16(8-11(2)15(10)3)13(6-14)12-4-5-17-9-12/h4-5,9-11,13H,6-8,14H2,1-3H3
InChIKeyIYVMWTHABHIJFK-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.30
Rot. Bonds3

About 2-(furan-3-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine

2-(furan-3-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine (PubChem CID 114537409) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(furan-3-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(furan-3-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
PubChem CID114537409
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(furan-3-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(C(CN)c2ccoc2)CC(C)N1C
InChIInChI=1S/C13H23N3O/c1-10-7-16(8-11(2)15(10)3)13(6-14)12-4-5-17-9-12/h4-5,9-11,13H,6-8,14H2,1-3H3
InChIKeyIYVMWTHABHIJFK-UHFFFAOYSA-N
XLogP1.30
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-3-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 63208703
2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537191
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(furan-3-yl)ethanamine
CID 55163205
2-(4-cyclopentylpiperazin-1-yl)-2-(furan-3-yl)ethanamine
CID 55163009
2-pyridin-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537050
2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537626
2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 79188487
2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605366
(2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30072752
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine
CID 16642936
2-(3,4-dimethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 63605581
2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 43089491

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(furan-3-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine (CID 114537409) is 2-(furan-3-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(furan-3-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(furan-3-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine is CC1CN(C(CN)c2ccoc2)CC(C)N1C.
What is the InChIKey of 2-(furan-3-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The InChIKey is IYVMWTHABHIJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-7-16(8-11(2)15(10)3)13(6-14)12-4-5-17-9-12/h4-5,9-11,13H,6-8,14H2,1-3H3.
What are the key properties of 2-(furan-3-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
2-(furan-3-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 114537409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).