1-(3-ethyl-4-methylpiperazin-1-yl)-1-(furan-2-yl)butan-2-amine

C15H27N3O — CID 63604860

IUPAC1-(3-ethyl-4-methylpiperazin-1-yl)-1-(furan-2-yl)butan-2-amine
SMILESCCC(N)C(c1ccco1)N1CCN(C)C(CC)C1
InChIInChI=1S/C15H27N3O/c1-4-12-11-18(9-8-17(12)3)15(13(16)5-2)14-7-6-10-19-14/h6-7,10,12-13,15H,4-5,8-9,11,16H2,1-3H3
InChIKeyBELZTOWJGRZDEF-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.08
Rot. Bonds5

About 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(furan-2-yl)butan-2-amine

1-(3-ethyl-4-methylpiperazin-1-yl)-1-(furan-2-yl)butan-2-amine (PubChem CID 63604860) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-4-methylpiperazin-1-yl)-1-(furan-2-yl)butan-2-amine
PubChem CID63604860
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(3-ethyl-4-methylpiperazin-1-yl)-1-(furan-2-yl)butan-2-amine
SMILESCCC(N)C(c1ccco1)N1CCN(C)C(CC)C1
InChIInChI=1S/C15H27N3O/c1-4-12-11-18(9-8-17(12)3)15(13(16)5-2)14-7-6-10-19-14/h6-7,10,12-13,15H,4-5,8-9,11,16H2,1-3H3
InChIKeyBELZTOWJGRZDEF-UHFFFAOYSA-N
XLogP2.08
TPSA45.64 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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(furan-2-yl)butan-2-amine?
The IUPAC name of 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(furan-2-yl)butan-2-amine (CID 63604860) is 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(furan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(furan-2-yl)butan-2-amine?
The canonical SMILES for 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(furan-2-yl)butan-2-amine is CCC(N)C(c1ccco1)N1CCN(C)C(CC)C1.
What is the InChIKey of 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(furan-2-yl)butan-2-amine?
The InChIKey is BELZTOWJGRZDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-12-11-18(9-8-17(12)3)15(13(16)5-2)14-7-6-10-19-14/h6-7,10,12-13,15H,4-5,8-9,11,16H2,1-3H3.
What are the key properties of 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(furan-2-yl)butan-2-amine?
1-(3-ethyl-4-methylpiperazin-1-yl)-1-(furan-2-yl)butan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 63604860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).