2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine

C13H23N3O — CID 82889367

IUPAC2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
SMILESCN1CCN(CCNCCc2ccco2)CC1
InChIInChI=1S/C13H23N3O/c1-15-8-10-16(11-9-15)7-6-14-5-4-13-3-2-12-17-13/h2-3,12,14H,4-11H2,1H3
InChIKeyNHIBCROEYVZREH-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.66
Rot. Bonds6

About 2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine

2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine (PubChem CID 82889367) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
PubChem CID82889367
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
SMILESCN1CCN(CCNCCc2ccco2)CC1
InChIInChI=1S/C13H23N3O/c1-15-8-10-16(11-9-15)7-6-14-5-4-13-3-2-12-17-13/h2-3,12,14H,4-11H2,1H3
InChIKeyNHIBCROEYVZREH-UHFFFAOYSA-N
XLogP0.66
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 60695276
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 22213998
4-(furan-2-yl)-N-(2-morpholin-4-ylethyl)butan-2-amine
CID 43393721
2-(4-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 62556363
2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63163129
N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60719415
N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 79256730
3-(furan-2-yl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 112722071
2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63619827
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111354304
4-[2-(furan-2-yl)ethyl]-1-methylpiperidine
CID 23800356

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
The IUPAC name of 2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine (CID 82889367) is 2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
The canonical SMILES for 2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine is CN1CCN(CCNCCc2ccco2)CC1.
What is the InChIKey of 2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
The InChIKey is NHIBCROEYVZREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-15-8-10-16(11-9-15)7-6-14-5-4-13-3-2-12-17-13/h2-3,12,14H,4-11H2,1H3.
What are the key properties of 2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine is sourced from PubChem (CID 82889367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).