N-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine

C14H25N3O — CID 115255770

IUPACN-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
SMILESCc1ccc(CCNCC(C)N2CCNCC2)o1
InChIInChI=1S/C14H25N3O/c1-12(17-9-7-15-8-10-17)11-16-6-5-14-4-3-13(2)18-14/h3-4,12,15-16H,5-11H2,1-2H3
InChIKeyWVUFMSUGZBIECI-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.01
Rot. Bonds6

About N-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine

N-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine (PubChem CID 115255770) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
PubChem CID115255770
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
SMILESCc1ccc(CCNCC(C)N2CCNCC2)o1
InChIInChI=1S/C14H25N3O/c1-12(17-9-7-15-8-10-17)11-16-6-5-14-4-3-13(2)18-14/h3-4,12,15-16H,5-11H2,1-2H3
InChIKeyWVUFMSUGZBIECI-UHFFFAOYSA-N
XLogP1.01
TPSA40.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(5-methylfuran-2-yl)butan-2-yl]piperazine
CID 116931969
N-[2-(4-methylphenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255755
N-[2-(5-bromothiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255758
N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255779
2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 115255769
N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255765
1-[3-(5-methylfuran-2-yl)propyl]piperazine
CID 82161568
N-[(5-bromothiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 115255698
1-[4-(5-methylfuran-2-yl)butyl]piperazine
CID 116928635
1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine
CID 116931937
2-[2-(5-methylfuran-2-yl)ethylamino]ethanol
CID 115216331
N-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine
CID 115118284

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine (CID 115255770) is N-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine is Cc1ccc(CCNCC(C)N2CCNCC2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine?
The InChIKey is WVUFMSUGZBIECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(17-9-7-15-8-10-17)11-16-6-5-14-4-3-13(2)18-14/h3-4,12,15-16H,5-11H2,1-2H3.
What are the key properties of N-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine?
N-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 115255770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).