N,N-dimethyl-2-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]ethanamine

C15H28N4O — CID 62890274

IUPACN,N-dimethyl-2-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]ethanamine
SMILESCNCc1ccc(CN2CCN(CCN(C)C)CC2)o1
InChIInChI=1S/C15H28N4O/c1-16-12-14-4-5-15(20-14)13-19-10-8-18(9-11-19)7-6-17(2)3/h4-5,16H,6-13H2,1-3H3
InChIKeyOZTWYJBGTAQGJJ-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.68
Rot. Bonds7

About N,N-dimethyl-2-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]ethanamine

N,N-dimethyl-2-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]ethanamine (PubChem CID 62890274) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]ethanamine
PubChem CID62890274
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN,N-dimethyl-2-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]ethanamine
SMILESCNCc1ccc(CN2CCN(CCN(C)C)CC2)o1
InChIInChI=1S/C15H28N4O/c1-16-12-14-4-5-15(20-14)13-19-10-8-18(9-11-19)7-6-17(2)3/h4-5,16H,6-13H2,1-3H3
InChIKeyOZTWYJBGTAQGJJ-UHFFFAOYSA-N
XLogP0.68
TPSA34.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]ethanamine (CID 62890274) is N,N-dimethyl-2-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]ethanamine is CNCc1ccc(CN2CCN(CCN(C)C)CC2)o1.
What is the InChIKey of N,N-dimethyl-2-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]ethanamine?
The InChIKey is OZTWYJBGTAQGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-16-12-14-4-5-15(20-14)13-19-10-8-18(9-11-19)7-6-17(2)3/h4-5,16H,6-13H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]ethanamine?
N,N-dimethyl-2-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]ethanamine has a molecular weight of 280.42 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 62890274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).