N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine

C15H27N3O — CID 80551355

IUPACN,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
SMILESCc1ccc(CN(C)CC(C)(C)N2CCNCC2)o1
InChIInChI=1S/C15H27N3O/c1-13-5-6-14(19-13)11-17(4)12-15(2,3)18-9-7-16-8-10-18/h5-6,16H,7-12H2,1-4H3
InChIKeyACQGPEGZXFDGPW-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.70
Rot. Bonds5

About N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine

N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine (PubChem CID 80551355) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
PubChem CID80551355
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
SMILESCc1ccc(CN(C)CC(C)(C)N2CCNCC2)o1
InChIInChI=1S/C15H27N3O/c1-13-5-6-14(19-13)11-17(4)12-15(2,3)18-9-7-16-8-10-18/h5-6,16H,7-12H2,1-4H3
InChIKeyACQGPEGZXFDGPW-UHFFFAOYSA-N
XLogP1.70
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine (CID 80551355) is N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine is Cc1ccc(CN(C)CC(C)(C)N2CCNCC2)o1.
What is the InChIKey of N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine?
The InChIKey is ACQGPEGZXFDGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-13-5-6-14(19-13)11-17(4)12-15(2,3)18-9-7-16-8-10-18/h5-6,16H,7-12H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine?
N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 80551355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).