2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine

C14H26N4O — CID 62889758

IUPAC2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(Cc2ccoc2CN)CC1
InChIInChI=1S/C14H26N4O/c1-16(2)4-5-17-6-8-18(9-7-17)12-13-3-10-19-14(13)11-15/h3,10H,4-9,11-12,15H2,1-2H3
InChIKeyGMCNEVDALVSLKC-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.42
Rot. Bonds6

About 2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 62889758) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID62889758
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(Cc2ccoc2CN)CC1
InChIInChI=1S/C14H26N4O/c1-16(2)4-5-17-6-8-18(9-7-17)12-13-3-10-19-14(13)11-15/h3,10H,4-9,11-12,15H2,1-2H3
InChIKeyGMCNEVDALVSLKC-UHFFFAOYSA-N
XLogP0.42
TPSA48.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine (CID 62889758) is 2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN(Cc2ccoc2CN)CC1.
What is the InChIKey of 2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is GMCNEVDALVSLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-16(2)4-5-17-6-8-18(9-7-17)12-13-3-10-19-14(13)11-15/h3,10H,4-9,11-12,15H2,1-2H3.
What are the key properties of 2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 266.39 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 62889758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).